Publications

Computational Chemistry and Chemical Physics

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2020

Mykuliak VV, Booth JJ, Shalashilin DV, Hytonen VP. 2020. Talin Rod Mechanical Unfolding: In Silico Study using Both Boxed and Steered Molecular Dynamics. BIOPHYSICAL JOURNAL
Bacon DR, Gill TB, Rosamond M, Burnett AD, Dunn A, Li LH, Linfield EH, Davies AG, Dean P, Freeman JR. 2020. Photoconductive Arrays on Insulating Substrates for High-Field Terahertz Generation. Optics Express. 17219-17231 28.12
Freixas VM, Tretiak S, Makhov DV, Shalashilin DV, Fernandez-Alberti S. 2020. Vibronic Quantum Beating between Electronic Excited States in a Heterodimer. The Journal of Physical Chemistry B.
Mykuliak VV, Sikora M, Booth JJ, Ciepak M, Shalashilin D, Hytonen VP. 2020. Mechanical unfolding of proteins – comparative non-equilibrium molecular dynamics study. Biophysical Journal.

2019

Bacon DR, Rosamond M, Gill T, Burnett AD, Li L, Cunningham J, Linfield EH, Davies AG, Dean P, Freeman JR. 2019. Photoconductive Arrays for High-Field Terahertz Generation. 44th International Conference on Infrared, Millimeter, and Terahertz Waves
Burnett AD, Towler CN, Kendrick J. 2019. Calculating the Complex Permittivity of Powdered Crystalline Materials. 44th International Conference on Infrared, Millimeter, and Terahertz Waves
Kendrick J, Burnett A. 2019. Data associated with the calculation of the infrared and terahertz spectrum of sodium peroxodisulfate..
Makhov DV, Shalashilin DV. 2019. Data associated with ’Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics’.
Bramley O, Symonds C, Shalashilin DV. 2019. Quantum system-bath dynamics with quantum superposition sampling and coupled generalized coherent states. Journal of Chemical Physics. 151
Chen L, Gelin MF, Shalashilin DV. 2019. Dynamics of a one-dimensional Holstein polaron: The multiconfigurational Ehrenfest method. Journal of Chemical Physics. 151.24
Duangrit N, Hong B, Burnett AD, Akkaraekthalin P, Robertson ID, Somjit N. 2019. Terahertz Dielectric Property Characterization of Photopolymers for Additive Manufacturing. IEEE Access. 12339-12347 7
Freixas VM, Ondarse-Alvarez D, Tretiak S, Makhov D, Shalashilin DV, Fernandez-Alberti S. 2019. Photoinduced non-adiabatic energy transfer pathways in dendrimer building blocks. Journal of Chemical Physics. 150.12
Green JA, Makhov DV, Cole-Filipiak NC, Symonds C, Stavros VG, Shalashilin DV. 2019. Ultrafast photodissociation dynamics of 2-ethylpyrrole: adding insight to experiment with ab initio multiple cloning. Physical Chemistry Chemical Physics. 3832-3841 21.7
Green JA, Shalashilin DV. 2019. Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states. Physical Review A. 100.1
Kendrick J, Burnett AD. 2019. Exploring the reliability of DFT calculations of the infrared and terahertz spectra of sodium peroxodisulfate. Journal of Infrared, Millimeter and Terahertz Waves.
Meng K, Park SJ, Burnett AD, Gill T, Wood CD, Rosamond M, Li LH, Chen L, Bacon DR, Freeman JR, Dean P, Ahn YH, Linfield EH, Davies AG, Cunningham JE. 2019. Increasing the sensitivity of terahertz split ring resonator metamaterials for dielectric sensing by localized substrate etching. Optics Express Srinivasan B (eds.). 23164-23172 27.16
Meng K, Park SJ, Li LH, Bacon DR, Chen L, Chae K, Park JY, Burnett AD, Linfield EH, Davies AG, Cunningham JE. 2019. Tunable broadband terahertz polarizer using graphene-metal hybrid metasurface. Optics Express. 33768-33778 27.23
Meng X, Xiao Z, Scott SK. 2019. Preparation and Application of Electrochemical Sensor Based on Molecularly Imprinted Polymer Coated Multi‐Walled Carbon Nanotubes for Nitrocellulose Detection. Propellants, Explosives, Pyrotechnics. 1337-1346 44.10
Symonds CC, Makhov DV, Cole-Filipiak NC, Green JA, Stavros VG, Shalashilin DV. 2019. Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning. Physical chemistry chemical physics : PCCP. 9987-9995 21.19
Duangrit N; Hong B; Burnett A; Akkaraekthalin P; Robertson I; Somjit N (2019) Terahertz Dielectric Property Characterization of Photopolymers for Additive Manufacturing RGJ University Forum. Bangkok, Thailand

2018

Makhov D, Saita K, Martinez T, Shalashilin D. 2018. Data associated with ’Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging’.
Freixas VM, Fernandez-Alberti S, Makhov DV, Tretiak S, Shalashilin D. 2018. An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules. Physical Chemistry Chemical Physics. 17762-17772 20.26
Makhov DV, Shalashilin DV. 2018. Floquet Hamiltonian for incorporating electronic excitation by a laser pulse into simulations of non-adiabatic dynamics. Chemical Physics. 46-51 515
Shalashilin DV. 2018. Zombie states for description of structure and dynamics of multi-electron systems. Journal of Chemical Physics. 148.19
Shannon RJ, Amabilino S, O'Connor M, Shalashilin DV, Glowacki DR. 2018. Adaptively accelerating reactive molecular dynamics using boxed molecular dynamics in energy space. Journal of Chemical Theory and Computation. 4541-4552 14.9
Symonds C, Kattirtzi JA, Shalashilin DV. 2018. The effect of sampling techniques used in the multiconfigurational Ehrenfest method. Journal of Chemical Physics. 148.18

2017

Abd Razak N, Swithenbank M, Burnett AD, Greenall NR, Linfield EH, Davies AG, Cunningham JE, Wood CD. 2017. THz-TDS of liquids in a temperature-controlled transmission flowcell. IRMMW-THz 2017
Bacon DR, Burnett AD, Swithenbank M, Russell C, Li L, Wood CD, Cunningham J, Linfield EH, Davies AG, Dean P, Freeman JR. 2017. Investigation into free-space terahertz radiation from a LT-GaAs-on-quartz photoconductive emitter. IRMMW-THz 2017
Greenall NR, Wood CD, Li LH, Linfield EH, Davies AG, Cunningham JE, Burnett AD. 2017. Time-frequency extraction of sample thickness and spectroscopic parameters using THz TDS. 42nd International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)
Booth J, Alexandru-Crivac CN, Rickaby KA, Nneoyiegbe AF, Umeobika U, McEwan AR, Trembleau L, Jaspars M, Houssen WE, Shalashilin D. 2017. A Blind Test of Computational Technique for Predicting the Likelihood of Peptide Sequences to Cyclize. Journal of Physical Chemistry Letters. 2310-2315 8.10
Gomez Martin JC, Seaton C, De Miranda MP, Plane JMC. 2017. The Reaction between Sodium Hydroxide and Atomic Hydrogen in Atmospheric and Flame Chemistry. Journal of Physical Chemistry A. 7667-7674 121.40
Greenall N, Valavanis A, Desai HJ, Acheampong DO, Li LH, Cunningham JE, Davies AG, Linfield EH, Burnett AD. 2017. The Development of a Semtex-H Simulant for Terahertz Spectroscopy. Journal of Infrared, Millimeter and Terahertz Waves. 325-338 38.3
Makhov DV, Symonds C, Fernandez-Alberti S, Shalashilin DV. 2017. Ab initio quantum direct dynamics simulations of ultrafast photochemistry with Multiconfigurational Ehrenfest approach. Chemical Physics. 200-218 493
Stefanou M, Saita K, Shalashilin DV, Kirrander A. 2017. Comparison of ultrafast electron and X-ray diffraction - a computational study. Chemical Physics Letters. 300-305 683
Swithenbank M, Burnett AD, Russell C, Li LH, Davies AG, Linfield EH, Cunningham JE, Wood CD. 2017. On-chip Terahertz-Frequency Measurements of Liquids. Analytical Chemistry. 7961-7987 89.15

2016

Burnett AD, Kendrick J. 2016. Calculating the Complex Permittivity of Powdered Crystalline Material at Infrared and Terahertz Frequencies. 2016 41st International Conference on Infrared, Millimeter, and Terahertz waves (IRMMW-THz)
Greenall NR, Li LH, Linfield EH, Davies AG, Cunningham JE, Burnett AD. 2016. Multilayer Extraction of Complex Refractive Index in Broadband Transmission Terahertz Time-Domain Spectroscopy. IRMMW-THz 2016
Greenall NR, Linfield EH, Davies AG, Li LH, Cunningham JE, Burnett AD. 2016. Estimation of Spectroscopic Uncertainty and Correlation in Terahertz Time Domain Spectroscopy. IRMMW-THz 2016
Swithenbank M, Russell C, Burnett AD, Li LH, Davies AG, Linfield EH, Cunningham JE, Wood CD. 2016. Accurate Parameter Extraction From Liquids Measured Using On-chip Terahertz Spectroscopy. IRMMW-THz 2016
Greenall N, Valavanis A, Desai HJ, Acheampong DO, Li LH, Cunningham JE, Davies AG, Linfield EH, Burnett AD. 2016. Data associated with 'Design and Development of a Semtex Simulant Suitable for Measurements at THz Frequencies Using a Genetic Algorithm'.
Bacon DR, Burnett AD, Swithenbank M, Russell C, Li L, Wood CD, Cunningham JE, Linfield EH, Davies AG, Dean P, Freeman JR. 2016. Free-space terahertz radiation from a LT-GaAs-on-quartz large-area photoconductive emitter. Optics Express. 26986-26997 24.23
Booth JJ, Shalashilin DV. 2016. Fully Atomistic Simulations of Protein Unfolding in Low Speed Atomic Force Microscope and Force Clamp Experiments with the Help of Boxed Molecular Dynamics. Journal of Physical Chemistry B. 700-708 120.4
Fernandez-Alberti S, Makhov DV, Tretiak S, Shalashilin DV. 2016. Non-Adiabatic Excited State Molecular Dynamics of Phenylene Ethynylene Dendrimer Using Multiconfigurational Ehrenfest Approach. Physical Chemistry Chemical Physics. 10028-10040 2016.18
Green JA, Grigolo A, Ronto M, Shalashilin D. 2016. A two-layer approach to the coupled coherent states method. Journal of Chemical Physics. 024111-024111 144.2
Han S, Bertling K, Dean P, Keeley J, Burnett AD, Lim YL, Khanna SP, Valavanis A, Linfield EH, Davies AG, Indjin D, Taimre T, Rakic AD. 2016. Laser Feedback Interferometry as a Tool for Analysis of Granular Materials at Terahertz Frequencies: Towards Imaging and Identification of Plastic Explosives. Sensors. 16.3
Jones L, Whitaker BJ. 2016. Modeling a halogen dance reaction mechanism: A density functional theory study. Journal of Computational Chemistry. 1697-1703 37.18
Kendrick J, Burnett AD. 2016. PDielec: The calculation of infrared and terahertz absorption for powdered crystals. Journal of Computational Chemistry. 1491-1504 37.16
Kirrander A, Saita K, Shalashilin DV. 2016. Ultrafast X-ray Scattering from Molecules. Journal of Chemical Theory and Computation. 957-967 12.3
Makhov DV, Martinez TJ, Shalashilin DV. 2016. Toward Fully Quantum Modelling of Ultrafast Photodissociation Imaging Experiments. Treating Tunnelling in the Ab Initio Multiple Cloning Approach. Faraday Discussions. 81-94 194
Russell C, Swithenbank M, Wood CD, Burnett AD, Li L, Linfield EH, Davies AG, Cunningham JE. 2016. Integrated On-Chip THz Sensors for Fluidic Systems Fabricated Using Flexible Polyimide Films. IEEE Transactions on Terahertz Science & Technology. 619-624 6.4
Siddiqui KM, Corthey G, Hayes SA, Rossos A, Badali DS, Xian R, Murphy RS, Whitaker BJ, Miller RJD. 2016. Synchronised photoreversion of spirooxazine ring opening in thin crystals to uncover ultrafast dynamics. CrystEngComm. 7212-7216 18.38
Valavanis A, Chowdhury S, Burnett AD, Clarkson AR, Bacon DR, Khanna SP, Davies AG, Linfield EH, Dean P. 2016. Diffuse-reflectance spectroscopy using a frequency-switchable terahertz quantum cascade laser. IEEE Transactions on Terahertz Science & Technology. 341-347 6.2

2015

Greenall NR, Wood CD, Russell C, LI LH, Linfield EH, Davies AG, Cunningham JE, Burnett AD. 2015. Accurate Material Parameter Extraction from Broadband Terahertz Spectroscopy. 40th International Conference on Infrared, Millimeter, and Terahertz Waves (IRMMW-THz)
Swithenbank M, Russell C, Burnett AD, Li L, Davies AG, Cunningham J, Linfield E, Wood CD. 2015. On-chip Terahertz Spectroscopy of Liquid Mixtures. 40th International Conference on Infrared, Millimeter, and Terahertz Waves
Swithenbank M, Russell C, Burnett AD, Li L, Linfield E, Davies A, Cunningham J, Wood C. 2015. Development of planar Goubau line - microfluidic integrated devices for THz spectroscopy of liquid analytes. IET Colloquium on Millimetre-wave and Terahertz Engineering & Technology 2015
Kendrick J, Burnett A. 2015. Dataset relating to ’PDielec: The Calculation of Infrared and Terahertz Absorption for Powdered Crystals’.
Green JA, Shalashilin D. 2015. Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential. Chemical Physics Letters. 173-180 641
Makhov DV, Saita K, Martinez TJ, Shalashilin DV. 2015. Ab initio multiple cloning simulations of pyrrole photodissociation: TKER spectra and velocity map imaging. Physical Chemistry Chemical Physics. 3316-3325 17
Symonds C, Wu J, Ronto M, Zagoya C, Faria CFDM, Shalashilin DV. 2015. Coupled-coherent-states approach for high-order harmonic generation. Physical Review A. 91.2

2014

Valavanis A, Dean P, Li LH, Burnett AD, Keeley J, Chowdhury S, Alhathlool R, Chen L, Zhu J, Han YJ, Freeman JR, Khanna SP, Indjin D, Davies AG, Linfield EH, Taimre T, Lim YL, Bertling K, Rakić AD. 2014. High-power (> 1 Watt) terahertz frequency quantum cascade lasers for stand-off imaging. SET-210 Specialist Meeting on Novel infrared laser technology for modern battlefield requirements
Booth JJ, Vazquez S, Martinez-Nunez E, Marks A, Rodgers J, Glowacki DR, Shalashilin DV. 2014. Recent applications of boxed molecular dynamics: a simple multiscale technique for atomistic simulations. Philosophical transactions of the Royal Society of London. Series A: Mathematical and physical sciences. 372.2021
Dean P, Valavanis A, Keeley J, Bertling K, Lim YL, Alhathlool R, Burnett AD, Li LH, Khanna SP, Indjin D, Taimre T, Rakić AD, Linfield EH, Davies AG. 2014. Terahertz imaging using quantum cascade lasers—a review of systems and applications. J. Phys. D: Appl. Phys.. 374008+ 47.37
Kraatz IT, Booth M, Whitaker BJ, Nix MGD, Critchley K. 2014. Sub-bandgap emission and intraband defect-related excited-state dynamics in colloidal CuInS2/ZnS quantum dots revealed by femtosecond pump-dump-probe spectroscopy. Journal of Physical Chemistry C. 24102-24109 118.41
Makhov DV, Glover WJ, Martinez TJ, Shalashilin DV. 2014. Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics.. Journal of Chemical Physics. 141
Nogueira JJ, Wang Y, Martín F, Alcamí M, Glowacki DR, Shalashilin DV, Paci E, Fernández-Ramos A, Hase WL, Martínez-Núñez E, Vázquez SA. 2014. Unraveling the factors that control soft landing of small silyl ions on fluorinated self-assembled monolayers. Journal of Physical Chemistry C. 10159-10169 118.19
Tych KM, Wood CD, Burnett AD, Pearson AR, Davies AG, Linfield EH, Cunningham JE. 2014. Probing temperature- and solvent-dependent protein dynamics using terahertz time-domain spectroscopy. Journal of Applied Crystallography. 146-153 47.1
Zagoya C, Wu J, Ronto M, Shalashilin DV, Faria CFDM. 2014. Quantum and semiclassical phase-space dynamics of a wave packet in strong fields using initial-value representations. New Journal of Physics. 103040-103040 16.10

2013 & previous

Whitaker JBC. 2003. Imaging in Molecular Dynamics: Technology and Applications.
BEDDARD G. 2006. Contribution from GODFREY BEDDARD. In: The Life and Scientific Legacy of George Porter.
Burnett AD. 2012. Infraredand Raman Spectroscopy in Forensic Science. In: Chalmers JM; Edwards HGM; Hargreaves MD (eds.) Infraredand Raman Spectroscopy in Forensic Science.
Burnett AD, Cunningham JE, Davies AG, Dean P, Linfield EH. 2012. Terahertz Frequency Spectroscopy and its Potential for Security Applications. In: Infrared and Raman Spectroscopy in Forensic Science.
Eppink A, Wu SM, Whitaker JBC. 2003. Reconstruction Methods. In: Whitaker JBC (eds.) Imaging in Molecular Dynamics: technology and Applications.
Form NT, Whitaker JBC. 2006. Quantum Cartography: Mapping the Control Landscape. In: Lasorne B; Worth G (eds.) Coherent Control of Molecules.
Pessoa de Miranda M, Aoiz FJ. 2010. Stereodynamics: Orientation and Alignment in Chemistry. In: Brouard M; Vallance C (eds.) Tutorials in Molecular Reaction Dynamics.
Reid GD, Wynne K. 2000. Ultrafast laser technology and spectroscopy. In: Meyers RA (eds.) Encyclopedia of analytical chemistry. 2000.
Reid GD, Wynne K. 2004. Time resolved spectroscopy. In: Webb CE (eds.) Handbook of Laser Technology and Applications. D6.3.
Suzuki T, Whitaker JBC. 2003. Photoelectron and photoion imaging with femtosecond pump-probe clocking. In: Whitaker JBC (eds.) Imaging in Molecular Dynamics: Technology and Applications.
Whitaker JBC. 2001. Image reconstruction: The Abel transform. In: Smit AG; Continetted RE (eds.) Imaging and Chemical Dynamics.
Aoiz FJ, Banares L, Miranda MP. 2004. Stereodynamics of simple reactions: How does the direction of the initial rotation control the reactivity. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
Beddard GS, Feehan TM, Keyes TE, Reid GD, Thorne JRG, White NTH, Heathcote P. 1996. Excitation transfer and energy transfer in the photosystem I reaction centre. Femtochemistry conference: ultrafast chemical and physical processes in molecular systems, Lausanne, Switzerland
Burbidge R, Rowland JJ, King RD, Form NT, Whitaker BJ. 2007. Evolutionary optimization of three-photon absorption in molecular iodine. 2007 IEEE Symposium on Computational Intelligence and Data Mining, Vols 1 and 2
Burnett AD, Kendrick J, Russell C, Christensen J, Li L, Cunningham JE, Pearson AR, Linfield EH, Davies AG. 2013. Understanding the influence of morphology on the terahertz spectra of a powdered ionic crystalline system. International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz
de Miranda MP, Aoiz FJ, Rabanos VS, Lique F, Alexander MH. 2008. PHYS 31-Electronic polarization effects in the dynamics of the F/F*+ H-2 reaction. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
Hicks RA, Lawes M, Sheppard CGW, Whitaker BJ. 1994. Multiple Laser Sheet Imaging Investigation of Turbulent Flame Structure in a Spark Ignition Engine. International Fuels & Lubricants Meeting & Exposition
Mestdagh MJ, Visticot JP, Märk TD, Berry RS, Donovan RJ, Lifshitz C, Stace AJ, Whitaker BJ, Murrell JN, Echt O, Whetten RL, Castleman AW, Haberland H, Naaman R, Michl M, Magnera TF, Miller JC, Phillips LF. 1990. General discussion. J. Chem. Soc., Faraday Trans
Monmayrant A, Arbouet A, Girard B, Chatel B, Barman A, Whitaker BJ, Kaplan D. 2005. Optimisation of NOPA output pulse shaping using an AOPDF with dispersion self-correction. 2005 Conference on Lasers & Electro-Optics (CLEO), Vols 1-3
Pierno L, Fiorello AM, Scafe S, Cunningham J, Burnett AD, Linfield EH, Davies AG. 2013. THz-TDS analysis of hidden explosives for homeland security scenarios. UCMMT 2013 - 2013 6th UK, Europe, China Millimeter Waves and THz Technology Workshop
Reid GD, Beddard GS, Whitaker JBC, Whitaker D. 2001. Excited state dynamics and rapid internal conversion in "stable dipoles" molecules. Abstracts of Papers of the American Chemical Society
Russell C, Wood CD, Burnett AD, Li L, Linfield EH, Davies AG, Cunningham JE. 2013. Optimization and application of on-chip terahertz Goubau lines. International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz
Shalashilin D, Child M. 2004. Quantum propagation on trajectory guided random grids of coupled coherent states. 227th ACS National Meeting
Taylor AF, Kapetanopoulos P, Whitaker BJ, Toth R, Bull L, Tinsley R. 2008. Phase clustering in globally coupled photochemical oscillators. EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS
Taylor AF, Kovacs K, Scott SK. 2008. Nonlinear pH responsive chemomechanical devices.. Polymer Preprints
Tych KM, Burnett AD, Wood CD, Malham RW, Li L, Cunningham JE, Pearson AR, Paci E, Linfield EH, Davies AG. 2013. Terahertz time-domain spectroscopy of lysozyme and mouse urinary protein single crystals. International Conference on Infrared, Millimeter, and Terahertz Waves, IRMMW-THz
Wu J, Augstein BB, Faria C, Kirrander A, Shalashilin D. 2012. Coupled-coherent State Approach for High-order Harmonic Generation. High Intensity Lasers and High Field Phenomena
Agapov MS, Kuznetsov EB, Shalashilin VI. 2009. Numerical modeling of the problem of strong nonlinear deformation in Eulerian coordinates. Mathematical Models and Computer Simulations. 263-273 1.2
Agudo JAG, Cubero MTG, Benito GG, Miranda MP. 2002. Removal of coloured compounds from sugar solutions by adsorption onto anionic resins: equilibrium and kinetic study. SEP PURIF TECHNOL. 199-205 29.3
Aldegunde J, Alvarino JM, Kendrick BK, Rabanos VS, de Miranda MP, Aoiz FJ. 2006. Analysis of the H+D-2 reaction mechanism through consideration of the intrinsic reactant polarisation. PHYS CHEM CHEM PHYS. 4881-4896 8.42
Aldegunde J, Alvarino JM, Pessoa de Miranda M, Saez-Rabanos V, Aoiz FJ. 2006. Mechanism and control of the F+H2 reaction at low and ultralow collision energies. Journal of Chemical Physics. pp.133104+ 125.13
Aldegunde J, Aoiz FJ, de Miranda MP. 2008. Quantum mechanical limits to the control of atom-diatom chemical reactions through the polarisation of the reactants. PHYS CHEM CHEM PHYS. 1139-1150 10.8
Aldegunde J, Aoiz FJ, Gonzalez-Sanchez L, Jambrina PG, de Miranda MP, Saez-Rabanos V. 2012. Orientation effects in Cl+H-2 inelastic collisions: characterization of the mechanisms. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2911-2920 14.8
Aldegunde J, Aoiz FJ, Saez Rabanos V, Kendrick BK, Pessoa de Miranda M. 2007. The canonical and other mechanisms of elementary chemical reactions. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 5794-5808 9
Aldegunde J, Jambrina PG, de Miranda MP, Rabanos VS, Aoiz FJ. 2011. Stereodynamics of the F plus HD(v=0, j=1) reaction: direct vs. resonant mechanisms. PHYS CHEM CHEM PHYS. 8345-8358 13.18
Aldegunde J, Jambrina PG, Saez-Rabanos V, de Miranda MP, Aoiz FJ. 2010. Quantum mechanical mechanisms of inelastic and reactive H + D-2(v=0, j=2) collisions. PHYS CHEM CHEM PHYS. 13626-13636 12.41
Aldegunde J, Pessoa de Miranda M, Haigh JM, Kendrick BK, Saez-Rabanos V, Aoiz FJ. 2005. How Reactants Polarization Can Be Used to Change and Unravel Chemical Reactivity. Journal of Physical Chemistry A. 6200-6217 109.28
Alwahabi ZT, Harkin CG, McCaffery AJ, Whitaker BJ. 1989. Stereochemical influences in atom–triatomic collisions. J. Chem. Soc., Faraday Trans. 2. 1003-1015 85.8
Andrews D, Beddard GS, Whitaker JBC. 2000. Charge transfer formation and geometry of the naphthalene trimethylamine van der Waals complex. Journal of Physical Chemistry B. 7785-7792 104
Aoiz FJ, Banares L, Castillo JF, Martinez-Haya B, de Miranda MP. 2001. The stereodynamics of the O(D-1) plus HD reaction on the ground 1 (1)A ' and excited 1 (1)A '' potential energy surfaces. J CHEM PHYS. 8328-8338 114.19
Aoiz FJ, Banares L, Pessoa de Miranda M. 2005. Stereodynamics of simple reactions: How does the direction of the initial rotation control the reactivity. Abstracts of Papers of the American Chemical Society. pp.175+ 227
Aoiz FJ, Brouard M, Eyles CJ, Klos J, de Miranda MP. 2009. The collisional depolarization of (2S+1)Sigma radicals by closed shell atoms: Theory and application to OH(A (2)Sigma(+))+Ar. J CHEM PHYS. 130.4
Aoiz FJ, Herrero VJ, Pessoa de Miranda M, Saez Rabanos V. 2007. Constraints at the transition state of the D + H2 reaction; quantum bottlenecks vs. stereodynamics. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 5367-5373 9
Arbelo-González W, González-Martínez ML, Reed SK, Rubayo-Soneira J, Shalashilin DV. 2012. Quasi-classical trajectories study of Ne2Br2(B) vibrational predissociation: kinetics and product distributions.. J Chem Phys. 144303+ 136.14
Aris R, Gray P, Scott SK. 1988. Modelling cubic autocatalysis by successive bimolecular steps. Chemical Engineering Science. 207-211 43.2
Aris R, Gray P, Scott SK. 1999. F. Modelling cubic autocatalysis by successive bimolecular steps. 180-188 1.C
Armstrong G, Taylor AF, Scott SK, Gaspar V. 2004. Modelling wave propagation across a series of gaps. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 4677-4681 6.19
Astill AG, McCaffery AJ, Proctor MJ, Seddon EA, Whitaker BJ. 1985. Pressure broadening of the nuclear hyperfine spectrum of127I2by He and Xe. Journal of Physics B: Atomic and Molecular Physics. 3745-3757 18.18
Astill AG, McCaffery AJ, Taylor SC, Whitaker BJ, Wynn MJ. 1988. Electronic energy transfer in Na2. The Journal of Chemical Physics. 184-191 89.1
Astill AG, McCaffery AJ, Whitaker BJ. 1986. Electronic energy transfer in Na2: observation of non-boltzmann emission in the A-X band following laser excitation of the B state. Chemical Physics Letters. 33-37 125.1
Astill AG, McCaffery AJ, Whitaker BJ. 1987. Optical-optical double resonance spectrum of Na2: Observation of atomic and molecular ultraviolet emission. Chemical Physics Letters. 1-6 142.1-2
Bain AJ, McCaffery AJ, Proctor MJ, Whitaker BJ. 1984. Laser-interrogated dichroic spectroscopy: A sensitive probe of molecular anisotropies. Chemical Physics Letters. 663-665 110.6
Bamforth J, Kalliadasis S, Merkin JH, Scott SK. 2000. Modelling flow-distribution oscillations in the CDIMA reaction. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 4013-4021 2
Bamforth JR, Merkin JH, Scott SK, Toth R, Gaspar V. 2001. Flow-distributed oscillation paterns in the oregonator model. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 1435-1438 3.8
Bamforth JR, Toth R, Gaspar V, Scott SK. 2002. Scaling and dynamics of "flow distributed oscillation patterns" in the Belousov-Zhabotinsky reaction. PHYS CHEM CHEM PHYS. 1299-1306 4.8
Barman A, Form NT, Whitaker JBC. 2006. Phase manipulation of continuum generation and stimulated Raman scattering in ethanol. Chemical Physics Letters. 317-321 427.4-6
Barratt MD, Castell JV, Pessoa de Miranda M. 2000. Development of an expert system rulebase for the prospctive identification of photoallergens. Journal of Photochemistry and Photobiology, B: Biology. 54-61 58.1
Bartlett S, Beddard GS, Jackson RM, Kayser V, Kilner C, Leach A, Nelson A, Oledzki PR, Parker P, Reid GD, Warriner SL. 2005. Comparison of the ATP binding sites of protein kinases using conformationally diverse bisindolylmaleimides.. J Am Chem Soc. 11699-11708 127.33
Beddard GS, Halcrow MA, Hitchman MA, Pessoa de Miranda M, Simmons CJ, Stratemeier H. 2003. Interpretation of the temperature dependence of the crystal structure of [CuL2][BF4]2 (L = 2,6-dipyrazol-1-ylpyridine). Dalton Transactions. 1028-1032 5
Blancafort, Temps, Vallet, Lan, Buma, Kohler, Ashfold, Nix, Cronin, Lineberger, Ichino T, Gianola AJ, Child, Dixon, Truhlar, Koppel, Sundstrom, Robb, Blanchet, Martinez, Soep, Boggio-Pasqua, Worth, Shalashilin, Markmann, Greene, Baer, Yarkony, Olivucci, Tapia, Evenhuis, Gidopoulos. 2004. General discussion. FARADAY DISCUSSIONS. 355-381 127
Blanchet V, Raffael K, Turri G, Chatel B, Girard B, Anton Garcia I, Wilkinson I, Whitaker BJ. 2008. Time-dependent photoionization of azulene: Competition between ionization and relaxation in highly excited states. Journal of Chemical Physics. pp.164318+ 128.16
Blanchet V, Raffael K, Turri G, Chatel B, Girard B, Garcia IA, Wilkinson I, Whitaker BJ. 2008. Time-dependent photoionization of azulene: competition between ionization and relaxation in highly excited states.. J Chem Phys. 164318+ 128.16
Boddington T, Feng CG, Scott SK. 1984. Thermal explosion of dispersed media. Criticality for discrete reactive particles in an inert matrix. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 973-983 80.8
BODDINGTON T, GRAY P, KORDYLEWSKI W, SCOTT SK. 1983. THERMAL EXPLOSIONS WITH EXTENSIVE REACTANT CONSUMPTION - A NEW CRITERION FOR CRITICALITY. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 13-30 390.1798
Boddington T, Gray P, Scott SK. 1982. Temperature distributions, critical conditions and scaling for exothermic materials under different boundary conditions. Part 1. - Semenov and Frank-Kamenetskii extremes. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 801-812 78.5
BODDINGTON T, GRAY P, SCOTT SK. 1982. MODELING THERMAL RUNAWAY AND CRITICALITY IN SYSTEMS WITH DIMINISHING REACTION-RATES - THE UNIFORM TEMPERATURE (SEMENOV) APPROXIMATION. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 29-47 380.1778
Boddington T, Gray P, Scott SK. 1982. Unifying approaches to the stationary-state theory of thermal explosion. Part 1. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 1721-1730 78.10
Boddington T, Gray P, Scott SK. 1982. Unifying approaches to the stationary-state theory of thermal explosion. Part 2. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 1731-1741 78.10
Boddington T, Gray P, Scott SK. 1982. Temperature distributions, critical conditions and scaling for exothermic materials under different boundary conditions. Part 2. - Intermediate boundary conditions (arbitrary biot number) and bodies of low symmetry. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 813-823 78.5
BOND JR, GRAY P, GRIFFITHS JF, SCOTT SK. 1982. OSCILLATIONS, GLOW AND IGNITION IN CARBON-MONOXIDE OXIDATION .2. OSCILLATIONS IN THE GAS-PHASE REACTION IN A CLOSED SYSTEM. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 293-314 381.1781
Bontuyan LS, Suits AG, Houston PL, Whitaker BJ. 1993. State-resolved differential cross sections for crossed-beam argon-nitric oxide inelastic scattering by direct ion imaging. The Journal of Physical Chemistry. 6342-6350 97.24
Brechignac P, De Benedictis S, Halberstadt N, Whitaker BJ, Avrillier S. 1985. Infrared absorption and predissociation of NO dimer. The Journal of Chemical Physics. 2064-2069 83.5
Brechignac P, Whitaker BJ. 1984. Energy dependence of rotationally inelastic cross sections and fitting laws. Chemical Physics. 425-436 88.3
Brechignac P, Whitaker BJ. 1986. Fitting form for rotational transitions of large inelasticity. The Journal of Chemical Physics. 2101-2103 84.4
BRINDLEY J, JIVRAJ NA, MERKIN JH, SCOTT SK. 1990. STATIONARY-STATE SOLUTIONS FOR COUPLED REACTION DIFFUSION AND TEMPERATURE-CONDUCTION EQUATIONS .2. SPHERICAL GEOMETRY WITH DIRICHLET BOUNDARY-CONDITIONS. PROCEEDINGS OF THE ROYAL SOCIETY-MATHEMATICAL AND PHYSICAL SCIENCES. 479-488 430.1880
BRINDLEY J, JIVRAJ NA, MERKIN JH, SCOTT SK. 1990. STATIONARY-STATE SOLUTIONS FOR COUPLED REACTION DIFFUSION AND TEMPERATURE-CONDUCTION EQUATIONS .1. INFINITE SLAB AND CYLINDER WITH GENERAL BOUNDARY-CONDITIONS. PROCEEDINGS OF THE ROYAL SOCIETY-MATHEMATICAL AND PHYSICAL SCIENCES. 459-477 430.1880
Brindley J, Kaas-Petersen C, Merkin JH, Scott SK. 1988. Bi-periodic behaviour in the diffusive autocatalator. Physics Letters A. 260-265 128.5
Brindley J, Kaas-Petersen C, Merkin JH, Scott SK. 1988. SIMPLE MODEL FOR SUSTAINED OSCILLATIONS IN ISOTHERMAL BRANCHED-CHAIN OR AUTOCATALYTIC REACTIONS IN A WELL-STIRRED OPEN SYSTEM. III MULTIPLE STATIONARY STATES AND HOPF BIFURCATIONS.. Proceedings of The Royal Society of London, Series A: Mathematical and Physical Sciences. 463-496 417.1853
Britton MM, Sederman AJ, Taylor AF, Scott SK, Gladden LF. 2005. Magnetic resonance imaging of flow-distributed oscillations. J PHYS CHEM A. 8306-8313 109.37
Broquier M, Picard‐Bersellini A, Whitaker BJ, Green S. 1986. Rotational inelastic cross sections for OCS–Ar, OCS–He, OCS–H2 collisions: A comparison between theory and experiment. The Journal of Chemical Physics. 2104-2107 84.4
Brouard M, Chadwick H, Eyles CJ, Hornung B, Nichols B, Aoiz FJ, Jambrina PG, Stolte S, De Miranda MP. 2013. Rotational alignment effects in NO(X) Ar inelastic collisions: A theoretical study. Journal of Chemical Physics. 138.10
Burnett AD, Edwards HGM, Hargreaves MD, Munshi T, Page K. 2011. A forensic case study: the detection of contraband drugs in carrier solutions by Raman spectroscopy.. Drug Test Anal. 539-543 3.9
Burnett AD, Fan WH, Upadhya PC, Cunningham JE, Hargreaves MD, Munshi T, Edwards HGM, Linfield EH, Davies AG. 2009. Broadband terahertz time-domain spectroscopy of drugs-of-abuse and the use of principal component analysis. ANALYST. 1658-1668 134.8
Burnett AD, Kendrick J, Cunningham JE, Hargreaves MD, Munshi T, Edwards HG, Linfield EH, Davies AG. 2010. Calculation and measurement of terahertz active normal modes in crystalline PETN.. Chemphyschem. 368-378 11.2
Burnett AD, Kendrick J, Russell C, Christensen J, Cunningham JE, Pearson AR, Linfield EH, Davies AG. 2013. Effect of molecular size and particle shape on the terahertz absorption of a homologous series of tetraalkylammoniunn salts. Analytical Chemistry. 7926-7934 85.16
Byrne MB, Cunningham J, Tych K, Burnett AD, Stringer MR, Wood CD, Dazhang L, Lachab M, Linfield EH, Davies AG. 2008. Terahertz vibrational absorption spectroscopy using microstrip-line waveguides. APPL PHYS LETT. 93.18
Bánsági T, Wrobel MM, Scott SK, Taylor AF. 2013. Motion and interaction of aspirin crystals at aqueous-air interfaces.. J Phys Chem B. 13572-13577 117.43
Casher O, Chandramohan GK, Hargreaves MJ, Leach C, Murray-Rust P, Rzepa HS, Sayle R, Whitaker BJ. 1995. Hyperactive molecules and the World-wide-web information system 1,2. Journal of the Chemical Society, Perkin Transactions 2. 7-111
Child MS, Shalashilin D. 2003. Locally coupled coherent states and Herman-Kluk dynamics. Journal of Chemical Physics. 2061-2071 118.5
Clancy R, Askanase AD, Chopelas B, Azar N, Miranda MP, Buyon JP. 2001. Pivotal role of human fetal cardial fibroblasts in the pathogenesis of autoantibody-associated congenital heart block. ARTHRITIS RHEUM. S160-S160 44.9
Clarkson J, Griffiths JF, Macnamara J, Whitaker JBC. 2001. Temperature fields during the development of combustion in a rapid compression machine. Combustion and Flame. 1162-1175 125.3
COLLIER SM, MERKIN JH, SCOTT SK. 1992. MULTISTABILITY, OSCILLATIONS AND TRAVELING WAVES IN A PRODUCT-FEEDBACK AUTOCATALATOR MODEL .1. THE WELL-STIRRED SYSTEM. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 447-472 340.1659
Collier SM, Merkin JH, Scott SK. 1994. Multistability, oscillations and travelling waves in a product-feedback autocatalator model. II The initiation and propagation of travelling waves. Philosophical Transactions - Royal Society of London, A. 389-615 349.1691
Cook GB, Gray P, Knapp DG, Scott SK. 1989. Bimolecular routes to cubic autocatalysis. Journal of Physical Chemistry. 2749-2755 93.7
Cooper MJ, Jackson PJ, Rogers LJ, Orr-Ewing AJ, Whitaker JBC. 1998. Ion imaging studies of the Cl(2PJ) and Br (2PJ) atomic products resulting from BrCl photodissociation in the wavelength range 235-540 nm. Journal of Chemical Physics. 4367-4377 109.11
Coroiu AM, Parker DH, Groenenboom GC, Barr J, Novalbos IT, Whitaker BJ. 2006. Photolysis of NO2 at multiple wavelengths in the spectral region 200-205 nm - A velocity map imaging study. EUR PHYS J D. 151-162 38.1
Coroiu AM, Parker DH, Groenenboom GC, Barr J, Novalbos IT, Whitaker JBC. 2006. Photolysis of NO2 at multiple wavelengths in the spectral region 200-205 nm - A velocity map imaging study. The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics. 151-162 38.1
Creasey DJ, Halford-Maw PA, Heard DE, Pilling MJ, Whitaker JBC. 1997. Implementation and initial deployment of a field instrument for measurement of OH and HO2 in the troposphere by laser-induced fluorescence. Faraday Transactions. 2907-2913 93.16
Creasey DJ, Halford-Maw PA, Heard DE, Spence JE, Whitaker BJ. 1998. Fast photomultiplier tube gating system for photon counting applications. Review of Scientific Instruments. 4068-4073 69.12
Creasey DJ, Heard DE, Pilling MJ, Whitaker BJ, Berzins M, Fairlie R. 1997. Visualisation of a supersonic free-jet expansion using laser-induced fluorescence spectroscopy: Application to the measurement of rate constants at ultralow temperatures. Applied Physics B: Lasers and Optics. 375-391 65.3
Cronin L, Krasnogor N, Davis BG, Alexander C, Robertson N, Steinke JHG, Schroeder SLM, Khlobystov AN, Cooper G, Gardner P, Siepmann P, Whitaker JBC, Marsh D. 2006. The imitation game - a computational chemical approach to recognizing life. Nature Biotechnology. 1203-1206 24.10
Crooks J, Stace AJ, Whitaker BJ. 1988. Infrared laser study of methanol, ethanol, and sulfur hexafluoride solvation in water clusters. The Journal of Physical Chemistry. 3554-3560 92.12
Da Rocha UN, Tótola MR, Pessoa DMM, Júnior JTA, Neves JCL, Borges AC. 2009. Mobilisation of bacteria in a fine-grained residual soil by electrophoresis. Journal of Hazardous Materials. 485-491 161.1
Davies AG, Burnett AD, Fan W, Linfield EH, Cunningham J. 2008. Terahertz spectroscopy of explosives and drugs. Materials Today. 18-26 11.3
Davies ML, Halford-Maw PA, Hill J, Tinsley M, Johnson BR, Scott SK, Kiss IZ, Gaspar V. 2000. Control of chaos in combustion reactions. Journal of Physical Chemistry B. 9944-9952 104
Davies ML, Schreiber I, Scott SK. 2004. Dynamical behaviour of the Belousov–Zhabotinsky reaction in a fed-batch reactor. Chemical Engineering Science. 139-148 59.1
Davies ML, Scott SK. 2001. Control of product selectivity for a model with mutating autocatalysis. CHEM ENG SCI. 4587-4595 56.15
Dazhang L, Cunningham J, Bryne MB, Khanna S, Wood CD, Burnett AD, Ershad SM, Linfield EH, Davies AG. 2009. On-chip terahertz Goubau-line waveguides with integrated photoconductive emitters and mode-discriminating detectors. Applied Physics Letters. 95
De Miranda MP. 1999. Attack and recoil angle dependence of the Li + HF → LiF + H Reaction at J = 0. Journal of Physical Chemistry A. 10749-10754 103.50
de Miranda MP, Alenquer M, Marques S, Rodrigues L, Lopes F, Bustelo XR, Simas JP. 2008. The Gammaherpesvirus m2 Protein Manipulates the Fyn/Vav Pathway through a Multidocking Mechanism of Assembly. PLOS ONE. 3.2
de Miranda MP, Beswick JA, Halberstadt N. 1994. One-atom cage effect in I2—Ar complexes: can it be explained by linear ground-state isomers?. Chemical Physics. 185-194 187.1-2
de Miranda MP, Beswick JA, Parent P, Laffon C, Tourillon G, Cassuto A, Nicolas G, Gadea FX. 1994. Fine vibrational structure in core‐to‐bound spectra of polyatomic molecules. The Journal of Chemical Physics. 5500-5514 101.7
de Miranda MP, Bielschowsky CE. 1993. Optical and generalized oscillator strengths for inner-shell excitations in Ar and CO2. Journal of Molecular Structure: THEOCHEM. 71-80 282.1-2
de Miranda MP, Bielschowsky CE, Boechat Roberty HM, de Souza GGB. 1994. Experimental and theoretical determination of the optical and generalized oscillator strengths for the inner-shell excitation ofC2H2. Physical Review A. 2399-2404 49.4
de Miranda MP, Crocchianti S, Laganà A. 1999. Attack and Recoil Angle Dependence of the Li + HF → LiF + H Reaction atJ= 0. The Journal of Physical Chemistry A. 10776-10782 103.50
de Miranda MP, Gargano R. 1999. Attack angle dependence of the Na+HF→NaF+H reaction at J=0. Chemical Physics Letters. 257-264 309.3-4
De Miranda MP, Gordon SDS, Aldegunde J. 2012. The influence of antieigenvalues and antieigenvectors on the correlation between the polarizations of reagents and products of molecular collisions. Molecular Physics. 1883-1892 110.15-16
de Miranda MP, Kendrick BK. 2009. Single-Parameter Quantification of the Sensitivity of a Molecular Collision to Molecular Polarization. J PHYS CHEM A. 14943-14951 113.52
Dean P, Awang AH, Kundu I, Alhathlool R, Khanna SP, Li LH, Burnett A, Linfield EH, Davies AG. 2013. Detection of terahertz frequency radiation via the photothermoelastic response of zincblende crystals. Journal of the Optical Society of America B. 3151-3160 30.12
Dean P, Burnett AD, Tych K, Khanna SP, Lachab M, Cunningham JE, Linfield EH, Davies AG. 2011. Measurement and analysis of the diffuse reflectance of powdered samples at terahertz frequencies using a quantum cascade laser.. J Chem Phys. 134304+ 134.13
Dean P, Saat NK, Khanna SP, Salih M, Burnett A, Cunningham J, Linfield EH, Davies AG. 2009. Dual-frequency imaging using an electrically tunable terahertz quantum cascade laser. OPT EXPRESS. 20631-20641 17.23
Dean P, Salih M, Khanna SP, Li LH, Saat NK, Valavanis A, Burnett AD, Cunningham JE, Davies AG, Linfield EH. 2012. Resonant−phonon depopulation terahertz quantum cascade lasers and their application in spectroscopic imaging. Semiconductor Science and Technology. 27.9
Dean P, Shaukat MU, Khanna SP, Chakraborty S, Lachab M, Burnett A, Davies G, Linfield EH. 2008. Absorption-sensitive diffuse reflection imaging of concealed powders using a terahertz quantum cascade laser. OPT EXPRESS. 5997-6007 16.9
Delve PA, Whitaker JBC. 1999. Saturation and lifetime effects on degenerate four wave mixing spectroscopy. Journal of Chemical Physics. 4445-4456 110.9
Delve PA, Whitaker JBC. 2000. A simple model to describe thermal grating effects in degenerate four wave mixing spectroscopy. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 5594-5601 2.24
Edwards HGM, Wilson AS, Nik Hassan NF, Davidson A, Burnett A. 2007. Raman spectroscopic analysis of human remains from a seventh century cist burial on Anglesey, UK.. Anal Bioanal Chem. 821-828 387.3
Egeiban OM, Griffiths JF, Mullins JR, Scott SK. 1982. Explosion hazards in exothermic materials: Critical conditions and scaling rules for masses of different geometry. Symposium (International) on Combustion. 825-833 19.1
Eppink A, Whitaker JBC, Gloaguen E, Soep B, Coroiu MA, Parker DH. 2004. Dissociative multiphoton ionization of NO2 studied by time-resolved imaging. Journal of Chemical Physics. 7776-7783 121.16
Fan WH, Burnett A, Upadhya PC, Cunningham J, Linfield EH, Davies AG. 2007. Far-infrared spectroscopic characterization of explosives for security applications using broadband terahertz time-domain spectroscopy.. Appl Spectrosc. 638-643 61.6
Feng CG, Gray P, Scott SK. 1984. Times to ignition in systems initiated by light. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 601-605 80.5
Feng CG, Scott SK. 1983. Surface temperature gradients and rates of internal heat evolution at criticality for generalized heat transfer (arbitrary Biot number). Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 1629-1631 79.11
FENG HT, HILDYARD CJ, SCOTT SK. 1992. THERMAL RUNAWAY IN A SYSTEM WITH A CONSTANT POWER SOURCE. COMBUSTION AND FLAME. 433-438 88.3-4
Form NT, Burbidge R, Ramon J, Whitaker BJ. 2008. Parameterization of an acousto-optic programmable dispersive filter for closed-loop learning experiments. Journal of Modern Optics. 197-209 55.1
Form NT, Whitaker BJ, Meier C. 2008. Enhancing the probablility of three-photon absorption in iodine through pulse shaping. Journal of Physics B: Atomic, Molecular and Optical Physics. pp.074011+ 41.7
Form NT, Whitaker JBC, Poisson L, Soep B. 2006. Time-resolved photoion and photoelectron imaging of NO2. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 2925-2932 8.25
Fuss, Champion, Blanchet, Nutt, Harvey, Soep, Buma, Blancafort, Martinez, Kohler, Temps, Doltsinis, Sundstrom, Koppel, Shalashilin, Child, Worth, Doltsinis, Rips, Olivucci, Truhlar, Baer, Balint-Kurti, Yarkony, Miller, Whitaker, Brown, Stolow, Parker, Blanchet, Softley, Loomis, Hernandez. 2004. General discussion. FARADAY DISCUSSIONS. 227-266 127
Giles CCD, Ibison P, Liu J, Scott SK. 1992. Uncatalysed Belousov-Zhabotinskii reaction with pyrogallol: Experimental behaviour in a flow reactor and the influence of ferroin as catalyst. Journal of the Chemical Society, Faraday Transactions. 917-924 88.7
Glowacki DR, Paci E, Shalashilin DV. 2009. Boxed molecular dynamics: a simple and general technique for accelerating rare event kinetics and mapping free energy in large molecular systems.. J Phys Chem B. 16603-16611 113.52
Glowacki DR, Paci E, Shalashilin DV. 2011. Boxed Molecular Dynamics: Decorrelation Time Scales and the Kinetic Master Equation. J CHEM THEORY COMPUT. 1244-1252 7.5
Glowacki DR, Pilling MJ, Shalashilin D, Nunez EM. 2008. PHYS 607-Dynamics simulations of the dissociation of vibrationally excited HOSO2 to OH and SO2: IVR, dissociation rates, and the OH + SO2 high pressure limit. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 235
Glowacki DR, Reed SK, Pilling MJ, Shalashilin DV, Martínez-Núñez E. 2009. Classical, quantum and statistical simulations of vibrationally excited HOSO(2): IVR, dissociation, and implications for OH + SO(2) kinetics at high pressures.. Phys Chem Chem Phys. 963-974 11.6
Gray BF, Kalliadasis S, Lazarovici A, Macaskill A, Merkin JH, Scott SK. 2002. The suppression of an exothermic branched-chain flame through endothermic reaction and radical scavenging. Proceedings of the Royal Society of London. Series A. Mathematical, Physical and Engineering Sciences. 2119-2138 458.2025
Gray BF, Scott SK. 1985. The influence of initial temperature-excess on critical conditions for thermal explosion. Combustion and Flame. 227-236 61.3
Gray BF, Scott SK. 1985. Multistability and sustained oscillations in isothermal, open systems. Cubic autocatalysis and the influence of competitive reactions. Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 1563-1567 81.7
Gray BF, Scott SK, Gray P. 1984. Multiplicity for isothermal autocatalytic reactions in open systems. Influence of reversibility and detailed balance. Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 3409-3417 80.12
Gray P, Griffiths JF, Scott SK. 1985. Oscillatory ignition of the H2+O2 and CO+H2+O2 reactions in open systems. Symposium (International) on Combustion. 1809-1815 20.1
GRAY P, GRIFFITHS JF, SCOTT SK. 1987. SURFACE EFFECTS IN THE GAS-PHASE OXIDATION OF CARBON-MONOXIDE. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE. 49-53 84.1
Gray P, Griffiths JF, Scott SK. 1985. OSCILLATIONS, GLOW AND IGNITION IN CARBON MONOXIDE OXIDATION IN AN OPEN SYSTEM - I. EXPERIMENTAL STUDIES OF THE IGNITION DIAGRAM AND THE EFFECTS OF ADDED HYDROGEN.. Proceedings of The Royal Society of London, Series A: Mathematical and Physical Sciences. 21-44 397.1812
GRAY P, GRIFFITHS JF, SCOTT SK. 1984. BRANCHED-CHAIN REACTIONS IN OPEN SYSTEMS - THEORY OF THE OSCILLATORY IGNITION LIMIT FOR THE HYDROGEN+OXYGEN REACTION IN A CONTINUOUS-FLOW STIRRED-TANK REACTOR. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES. 243-258 394.1807
Gray P, Griffiths JF, Scott SK. 1985. OSCILLATION, GLOW AND IGNITION IN CARBON MONOXIDE OXIDATION IN AN OPEN SYSTEM: II. THEORY OF THE OSCILLATORY IGNITION LIMIT IN THE C. S. T. R.. Proceedings of The Royal Society of London, Series A: Mathematical and Physical Sciences. 187-204 402.1823
GRAY P, KAY SR, SCOTT SK. 1988. OSCILLATIONS OF AN EXOTHERMIC REACTION IN A CLOSED SYSTEM .1. APPROXIMATE (EXPONENTIAL) REPRESENTATION OF ARRHENIUS TEMPERATURE-DEPENDENCE. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 321-341 416.1851
GRAY P, MERKIN JH, NEEDHAM DJ, SCOTT SK. 1990. THE DEVELOPMENT OF TRAVELING WAVES IN A SIMPLE ISOTHERMAL CHEMICAL-SYSTEM .3. CUBIC AND MIXED AUTOCATALYSIS. PROCEEDINGS OF THE ROYAL SOCIETY-MATHEMATICAL AND PHYSICAL SCIENCES. 509-524 430.1880
Gray P, Scott SK. 1983. Autocatalysis in isothermal, open systems. The Journal of Chemical Physics. 6421-6423 79.12
Gray P, Scott SK. 1983. Autocatalytic reactions in the isothermal, continuous stirred tank reactor. Isolas and other forms of multistability. Chemical Engineering Science. 29-43 38.1
Gray P, Scott SK. 1984. Autocatalytic reactions in the isothermal, continuous stirred tank reactor. Oscillations and instabilities in the system A + 2B → 3B; B → C. Chemical Engineering Science. 1087-1097 39.6
GRAY P, SCOTT SK. 1983. THE APPROACH TO STATIONARY STATES OF AUTOCATALYTIC SYSTEMS IN THE CONTINUOUS-FLOW STIRRED TANK REACTOR. BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 379-382 87.5
Gray P, Scott SK. 1983. Absence of restrictions on permissible paths for changing the efficiencies of operation of flow reactors. Journal of Physical Chemistry. 1835-1838 87.11
Gray P, Scott SK. 1985. Sustained oscillations and other exotic patterns of behavior in isothermal reactions. Journal of Physical Chemistry. 22-32 89.1
GRAY P, SCOTT SK. 1985. STABILITY AND DYNAMICS OF THE ISOTHERMAL CSTR. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 19-INDE 189.APR-
GRAY P, SCOTT SK. 1990. ARCHETYPAL RESPONSE PATTERNS FOR OPEN CHEMICAL-SYSTEMS WITH 2 COMPONENTS. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 69-87 332.1624
Gray P, Scott SK. 1986. NEW MODEL FOR OSCILLATORY BEHAVIOUR IN CLOSED SYSTEMS: THE AUTOCATALATOR.. Berichte der Bunsengesellschaft/Physical Chemistry Chemical Physics. 985-996 11.90
Gray P, Scott SK. 1987. Influence of boundaries on dissipative structures in the Schlögl model. Zeitschrift für Physik B Condensed Matter. 395-396 67.3
GRAY P, SCOTT SK. 1986. A NEW MODEL FOR OSCILLATORY BEHAVIOR IN CLOSED SYSTEMS - THE AUTOCATALATOR. BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 985-996 90.11
Gray P, Scott SK, Merkin JH. 1988. The Brusselator model of oscillatory reactions: Relationships between two-variable and four-variable models with rigorous application of mass conservation and detailed balance. Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 993-1012 84.4
GRAY P, SCOTT SK, SHOWALTER K. 1991. THE INFLUENCE OF THE FORM OF AUTOCATALYSIS ON THE SPEED OF CHEMICAL WAVES. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 249-260 337.1646
GRAY P, SHOWALTER K, SCOTT SK. 1987. PROPAGATING REACTION-DIFFUSION FRONTS WITH CUBIC AUTO-CATALYSIS - THE EFFECTS OF REVERSIBILITY. JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE. 1329-1333 84.11-12
Griffiths JF, Kay SR, Scott SK. 1989. Oscillatory combustion in closed vessels: Theoretical foundations and their experimental verification. Symposium (International) on Combustion. 1597-1607 22.1
Griffiths JF, Macnamara J, Sheppard CGW, Turton D, Whitaker JBC. 2002. The relationship of knock during controlled autoignition to temperature inhomogeneities and fuel reactivity. Fuel. 2219-2225 81.17
Griffiths JF, MacNamara JP, Mohamed C, Whitaker BJ, Pan JF, Sheppard CGW. 2001. Temperature fields during the development of autoignition in a rapid compression machine. FARADAY DISCUSSIONS. 287-303 119
Griffiths JF, MacNamara JP, Sheppard CGW, Turton DA, Whitaker BJ. 2002. The relationship of knock during controlled autoignition to temperature inhomogeneities and fuel reactivity. FUEL. 2219-2225 81.17
GRIFFITHS JF, SCOTT SK. 1987. THERMOKINETIC INTERACTIONS - FUNDAMENTALS OF SPONTANEOUS IGNITION AND COOL FLAMES. PROGRESS IN ENERGY AND COMBUSTION SCIENCE. 161-197 13.3
Griffiths JF, Whitaker JBC. 2002. Thermokinetic interactions leading to knock during homogeneous charge compression ignition. Combustion and Flame. 386-399 131.4
Grigor'eva VM, Gershenzon YM, Umanskii SY, Shalashilin DV. 1996. A kinetic mechanism of hydroxyl night-sky luminescence. Chemical Physics Reports. 729-744 15.5
Grosjean C, Novakovicb K, Scott SK, Whiting A, Willis MJ, Wright AR. 2008. Product identification and distribution from the oscillatory versus non-oscillatory palladium(II) iodide-catalysed oxidative carbonylation of phenylacetylene. J MOL CATAL A-CHEM. 33-39 284.1-2
Guo Y, Shalashilin DV, Krouse JA, Thompson DL. 1999. Intramolecular dynamics diffusion theory approach to complex unimolecular reactions. The Journal of Chemical Physics. 5521-5525 110.12
Guo Y, Shalashilin DV, Krouse JA, Thompson DL. 1999. Predicting nonstatistical unimolecular reaction rates using Kramers’ theory. The Journal of Chemical Physics. 5514-5520 110.12
Hall G, Suits AG, Whitaker BJ. 1993. Resonant degenerate four wave mixing detection of HCO. Chemical Physics Letters. 277-282 203.2-3
Hall G, Whitaker BJ. 1994. Laser-induced grating spectroscopy. Journal of the Chemical Society, Faraday Transactions. 1-1 90.1
Hamard JB, Cireasa R, Chatel B, Blanchet V, Whitaker BJ. 2010. Quantum Interference in NO2. JOURNAL OF PHYSICAL CHEMISTRY A. 3167-3175 114.9
Hargreaves MD, Burnett AD, Munshi T, Cunningham JE, Linfield EH, Davies AG, Edwards HGM. 2009. Comparison of near infrared laser excitation wavelengths and its influence on the interrogation of seized drugs-of-abuse by Raman spectroscopy. Journal of Raman Spectroscopy. 1974-1983 40.12
Heal MR, Heard DE, Pilling MJ, Whitaker BJ. 1995. On the Development and Validation of FAGE for Local Measurement of Tropospheric OH and H02. Journal of the Atmospheric Sciences. 3428-3441 52.19
Heal MR, Pilling MJ, Titcombe PE, Whitaker BJ. 1995. Mass accommodation of aniline, phenol and toluene on aqueous droplets. Geophysical Research Letters. 3043-3046 22.22
Henkelis JJ, Jones LF, de Miranda MP, Kilner CA, Halcrow MA. 2010. Two heptacopper(II) disk complexes with a [Cu(7)(μ(3)-OH)(4)(μ-OR)(2)](8+) core.. Inorg Chem. 11127-11132 49.23
Herraez-Aguilar D, Jambrina PG, Aldegunde J, Saez-Rabanos V, de Miranda MP, Aoiz FJ. 2013. The reactive collision mechanism evinced: stereodynamical control of the elementary Br + H-2 -> H + HBr reaction. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 13513-13522 15.32
Hildyard CJ, Scott SK. 1995. Phase-plane analysis of multiplicity and thermal runaway in a hollow sphere subject to a constant internal radiative power source. Dynamics and Stability of Systems. 219-232 10.3
Horváth D, Petrov V, Scott SK, Showalter K. 1993. Instabilities in propagating reaction-diffusion fronts. The Journal of Chemical Physics. 6332-6343 98.8
Hradil VP, Suzuki T, Hewitt SA, Houston PL, Whitaker BJ. 1993. An investigation of the 355 nm photodissociation of NO2 by state‐resolved photofragment imaging. The Journal of Chemical Physics. 4455-4463 99.6
Hu G, Pojman JA, Scott SK, Wrobel MM, Taylor AF. 2010. Base-catalyzed feedback in the urea-urease reaction.. J Phys Chem B. 14059-14063 114.44
Ibison P, Scott SK. 1990. Detailed bifurcation structure and new mixed-mode oscillations of the Belousov-Zhabotinskii reaction in a stirred flow reactor. Journal of the Chemical Society, Faraday Transactions. 3695-3700 86.22
Ibison P, Scott SK. 1991. Phenomenological study of a new flow model of the Belousov-Zhabotinskii reaction. Journal of the Chemical Society, Faraday Transactions. 223-228 87.2
Iino H, Hanna JI, Bushby RJ, Movaghar B, Whitaker JBC. 2006. Hopping conduction in the columnar liquid crystal phase of a dipolar discogen. Journal of Applied Physics. pp.043716+ 100.4
Ivan K, Kirschner N, Wittmann M, Simon PL, Jakab V, Noszticzius Z, Merkin JH, Scott SK. 2002. Direct evidence for fixed ionic groups in the hydrogel of an electrolyte diode. PHYS CHEM CHEM PHYS. 1339-1347 4.8
Jakab E, Horvath D, Merkin JH, Scott SK, Simon P, Toth A. 2002. Isothermal flame balls. Physical Review E (Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics). pp.016207+ 66.1/2
Jakab E, Horvath D, Merkin JH, Scott SK, Simon PL, Toth A. 2003. Isothermal flame Balls: Effect of autocatalyst decay. Physical Review E (Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics). pp.036210+ 68.3
Jakab E, Horvath D, Toth A, Merkin JH, Scott SK. 2001. The effect of reversible binding of the autocatalyst on the lateral instability of reaction fronts. Chemical Physics Letters. 317-322 342.3-4
Jakab E, Horváth D, Merkin JH, Scott SK, Simon PL, Tóth A. 2003. Isothermal flame balls: Effect of autocatalyst decay. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 362101-362109 68.3 2
Jambrina PG, Aldegunde J, De Miranda MP, Sáez-Rábanos V, Aoiz FJ. 2012. Three-vector correlation in statistical reactions: The role of the triatomic parity. Physical Chemistry Chemical Physics. 9977-9987 14.28
Jambrina PG, Kłos J, Aoiz FJ, De Miranda MP. 2012. New findings regarding the NO angular momentum orientation in Ar-NO( 2Π 1/2) collisions. Physical Chemistry Chemical Physics. 9826-9837 14.28
Johnson BR, Griffiths JF, Scott SK. 1991. Oscillations and chaos in CO+O2 combustion. Chaos. 387-396 1.4
Johnson BR, Griffiths JF, Scott SK. 1991. Characterisation of oscillations in the H2 + O2 reaction in a continuous-flow reactor. Journal of the Chemical Society, Faraday Transactions. 523-533 87.4
Johnson BR, Scott SK. 1990. Period doubling and chaos during the oscillatory ignition of the CO + O2 reaction. Journal of the Chemical Society, Faraday Transactions. 3701-3705 86.22
Johnson BR, Scott SK. 1996. New approaches to chemical patterns. Chemical Society Reviews. 265-273 25.4
Johnson BR, Scott SK. 1997. Complex and non-periodic oscillations in the H2 + O2 reaction. Journal of the Chemical Society - Faraday Transactions. 2997-3004 93.17
Johnson BR, Scott SK, Taylor AF. 1997. Reaction-diffusion waves; homogeneous and inhomogeneous effects. Faraday Transactions. 3733-3736 93.20
Johnson BR, Scott SK, Thompson BW. 1997. Modelling complex transient oscillations for the BZ reaction in a batch reactor.. Chaos. 350-358 7.2
Johnson BR, Scott SK, Tinsley MR. 1998. A reduced model for complex oscillatory responses in the mesosphere. Journal of the Chemical Society - Faraday Transactions. 2709-2715 94.18
Johnson BR, Scott SK, Tomlin AS. 1991. Modelling complex oscillations for the H2 + O2 reaction in an open system. Faraday Transactions. pp.2539+ 87
JOHNSON BR, SCOTT SK, TOMLIN AS. 1991. MODELING COMPLEX OSCILLATIONS FOR THE H-2 + O-2 REACTION IN AN OPEN SYSTEM. J CHEM SOC FARADAY T. 2539-2548 87.16
Jones KM, Milkiewicz JA, Whitaker JBC, Sage AG, Worth GA. 2013. Photodissociation of ClNO in the 2 1A' state: computational and experimental NO product state distributions.. Chemphyschem. 1479-1487 14.7
Jones LF, Kilner CA, Pessoa de Miranda M, Wolowska J, Halcrow MA. 2007. A hexacopper fluoro metallacrown cavitand and its alkali metal complexes. Angewandte Chemie - International Edition. 4073-4076 46.22
Kaas-Petersen C, McGarry JK, Scott SK. 1989. A two-step model for cubic autocatalysis in an open system. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 1831-1835 85.11
Kaas-Petersen C, Scott SK. 1988. Homoclinic orbits in a simple chemical model of an autocatalytic reaction. Physica D: Nonlinear Phenomena. 461-470 32.3
Kaas-Petersen C, Scott SK. 1988. Stationary-state and Hopf bifurcation patterns in isothermal reaction-diffusion systems. Chemical Engineering Science. 391-392 43.2
Kalliadasis S, Merkin JH, Scott SK. 2000. Modelling complex spatiotemporal behavior in Coutte reactor. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 2319-2327 2
KAY SR, SCOTT SK. 1988. OSCILLATIONS OF SIMPLE EXOTHERMIC REACTIONS IN A CLOSED SYSTEM .2. EXACT ARRHENIUS KINETICS. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 343-359 416.1851
KAY SR, SCOTT SK. 1988. MULTIPLE STATIONARY STATES, SUSTAINED OSCILLATIONS AND TRANSIENT-BEHAVIOR IN AUTOCATALYTIC REACTION DIFFUSION-EQUATIONS. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 345-364 418.1855
KAY SR, SCOTT SK, LIGNOLA PG. 1987. THE APPLICATION OF SINGULARITY THEORY TO ISOTHERMAL AUTOCATALYTIC REACTIONS - THE INFLUENCE OF UNCATALYZED REACTIONS. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 433-448 409.1837
Kay SR, Scott SK, Tomlin AS. 1989. Quadratic autocatalysis in a non-isothermal CSTR. Chemical Engineering Science. pp.1129+ 44
KAY SR, SCOTT SK, TOMLIN AS. 1989. QUADRATIC AUTO-CATALYSIS IN A NON-ISOTHERMAL CSTR. CHEM ENG SCI. 1129-1137 44.5
Kayser V, Turton DA, Aggeli A, Beevers A, Reid GD, Beddard GS. 2004. Energy migration in novel pH-triggered self-assembled beta-sheet ribbons.. J Am Chem Soc. 336-343 126.1
Kirrander A, Shalashilin DV. 2011. Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields. Physical Review A - Atomic, Molecular, and Optical Physics. 84.3
Kirrander A, Shalashilin DV. 2011. Quantum dynamics with fermion coupled coherent states: Theory and application to electron dynamics in laser fields. PHYSICAL REVIEW A. 84.3
Kiss I, Merkin JH, Scott SK, Simon PL. 2004. Electric field effects on travelling waves in the Oregonator model for the Belousov-Zhabotinsky reaction. Q J MECH APPL MATH. 467-494 57.4
Kiss I, Merkin JH, Scott SK, Simon PL. 2004. Electric field effects on travelling waves in the Oregonator model for the Belousov-Zhabotinsky reaction. Q J MECH APPL MATH. 467-494 57
Kiss IZ, Merkin JH, Scott SK, Simon PL. 2003. Travelling waves in the Oregonator model for the BZ reactions. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 5448-5453 5.24
Kiss IZ, Merkin JH, Scott SK, Simon PL, Kalliadasis S, Neufeld Z. 2003. The structure of flame filaments in chaotic flows. Physica D - Nonlinear Phenomena. 67-81 176.1-2
Kordylewski W, Scott SK. 1984. The influence of self-heating on the second and third explosion limits in the O2 + H2 reaction. Combustion and Flame. 127-139 57.2
KORDYLEWSKI W, SCOTT SK, TOMLIN AS. 1990. DEVELOPMENT OF OSCILLATIONS IN CLOSED SYSTEMS. J CHEM SOC FARADAY T. 3365-3371 86.20
Kordylewski W, Scott SK, Tomlin AS. 1990. Development of oscillations in closed systems. Faraday Transactions. pp.3365+ 86
Kovacs K, Mcilwaine RE, Gannon KL, Taylor AF, Scott SK. 2005. Complex Behaviour in the Formaldehyde - Sulfite Reaction. Journal of Physical Chemistry A. 283-288 109
Kovacs K, McIlwaine RE, Scott SK, Taylor AF. 2007. pH oscillations and bistability in the methylene glycol-sulfite-gluconolactone reaction.. Phys Chem Chem Phys. 3711-3716 9.28
Kovacs K, Mcilwaine RE, Scott SK, Taylor AF. 2007. pH oscillations and bistability in the methylene glycol–sulfite–gluconolactone reaction. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 3711-3716 9.28
Kovacs K, Mcilwaine RE, Scott SK, Taylor AF. 2007. An Organic-Based pH oscillator. Journal of Physical Chemistry A. 549-551 111.4
Kupiszewska D, Whitaker BJ. 1993. Thermometry by degenerate four-wave mixing: J dependence of laser-induced grating reflectivity. Journal of the Chemical Society, Faraday Transactions. 2951-2951 89.16
Kuznetsov NM, Pukhlii VA, Shalashilin DV. 1995. The equation of state of the products, detonation, Hugoniot of the cellulose dust-air system, and pressure variations during its combustion in a vented vessel. Chemical Physics Reports. 1536-1550 13.8-9
Lazarovici A, Kalliadasis S, Merkin JH, Scott SK. 2002. Flame quenching through endothermic reaction. J ENG MATH. 207-228 44.3
Lazarovici A, Kalliadasis S, Merkin JH, Scott SK, Simon PL. 2004. The propogation and inhibition of an exothermic branched-chain flame with an endothermic reaction and radical scavenging. Journal of Engineering Mathematics. 41-55 49.1
Leach JA, Merkin JH, Scott SK. 1991. An analysis of a two-cell coupled nonlinear chemical oscillator. Dynamics and Stability of Systems. 341-366 6.4
Leach JA, Merkin JH, Scott SK. 1992. Two-cell coupled cubic autocatalator: The effect of the uncatalysed reaction. Dynamics and Stability of Systems. 245-266 7.4
Leach JA, Merkin JH, Scott SK. 1993. Two-cell coupled nonlinear chemical oscillator: Asymmetric cells. Dynamics and Stability of Systems. 81-100 8.2
LEACH JA, MERKIN JH, SCOTT SK. 1993. THE INITIATION AND PROPAGATION OF TRAVELING WAVES ON MEMBRANE INTERFACES IN THE BELOUSOV-ZHABOTINSKII REACTION. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 229-258 345.1675
Leach JA, Merkin JH, Scott SK. 1994. Oscillations and waves in the Belousov-Zhabotinskii reaction in a finite medium. Journal of Mathematical Chemistry. 115-124 16.1
Lemeshko M, Jambrina PG, de Miranda MP, Friedrich B. 2010. Communications: When diffraction rules the stereodynamics of rotationally inelastic collisions. J CHEM PHYS. 132.16
Lino H, Hanna J, Bushby RJ, Movaghar B, Whitaker JBC, Cook MJ. 2005. Very high time-of-flight mobility in the columnar phases of a discotic liquid crystal. Applied Physics Letters. pp.132102+ 87.13
Liu J, Scott SK. 1991. Fractal basin boundaries for the forced autocatalator. The Journal of Chemical Physics. 4416-4420 94.6
Liu J, Scott SK. 1991. Hysteresis and complex oscillations of the uncatalysed Belousov-Zhabotinskii reaction in a stirred flow reactor. Journal of the Chemical Society, Faraday Transactions. 2135-2140 87.14
Liu J, Scott SK. 1992. Reduced models for the uncatalyzed Belousov-Zhabotinskii reaction. Journal of Physical Chemistry. 9870-9875 96.24
Liu J, Scott SK. 1992. Mechanism for the uncatalysed Belousov-Zhabotinskii reaction in open systems. Journal of the Chemical Society, Faraday Transactions. 909-916 88.7
Liu J, Scott SK. 1993. Multistability, oscillations and chaos in an exothermic branched-chain reaction model. Dynamics and Stability of Systems. 273-287 8.4
Liu X, McAllister JA, De Miranda MP, Whitaker BJ, Kilner CA, Thornton-Pett M, Halcrow MA. 2002. Supramolecular templating of the double-cubane [(Cu3(Hpz(tBu))6(mu3-Cl)(mu3-OH)3)2Cu]Cl6 (Hpz(tBu)=5-tert-butylpyrazole).. Angew Chem Int Ed Engl. 756-758 41.5
Liu X, McAllister JA, Pessoa de Miranda M, McInnes EJL, Kilner CA, Halcrow MA. 2004. Reactions of copper(II) salts with 3{5}-tert-butylpyrazole: Double-cubane complexes with bound exogenous anions, and a novel pyrozole coordination mode. Chemistry a European journal. 1827-1837 10.7
Liu X, McAllister JA, Pessoa de Miranda M, Whitaker JBC, Kilner CA, Thornton-Pett MA, Halcrow MA. 2002. Supramolecular templating of the double-cubane {Cu- 3(Hpz(tBu))(6)(mu(3)-CI)(mu(3)-OH(3)}(2)Cu CI-6 (Hpz(tBu)=5- tert-butylprazole. Angewandte Chemie: International Edition. 756-758 41.5
Liu X, McLaughlin AC, Pessoa de Miranda M, McInnes EJL, Kilner CA, Halcrow MA. 2002. A cyclic hexacopper(II) fluoro complex that encapsulates two fluoride anions. Chemical Communications. 2978-297924
Liu X, Pessoa de Miranda M, McInnes EJL, Kilner CA, Halcrow MA. 2004. Antisymmetric exchange in two tricopper(II) complexes containing a Cu-3(mu(3)-OMe (5+) core. Dalton Transactions. 59-641
Liu XM, McAllister JA, de Miranda MP, Whitaker BJ, Kilner CA, Thornton-Pett M, Halcrow MA. 2002. Supramolecular templating of the double-cubane [{Cu-3(Hpz(tBu))(6)(mu(3)-Cl)(mu(3)-OH)(3)}(2)Cu]Cl-6 (Hpz(tBu)=5-tert-butylpyrazole). ANGEW CHEM INT EDIT. 756-+ 41.5
Martinez-Nunez E, Shalashilin D. 2006. Acceleration of classical mechanics of phase space constraints. Journal of Chemical Theory and Computation. 912-919 2.4
Martínez-Núñez E, Whalley CL, Shalashilin D, Plane JMC. 2010. Dynamics of Mg+ + H2O + He: capture, collisional stabilization and collision-induced dissociation.. J Phys Chem A. 6472-6479 114.23
McCaffery AJ, Reid KL, Whitaker BJ. 1988. Velocity-Selective Double Resonance: A Novel Technique for Determining Differential Scattering Cross Sections. Physical Review Letters. 2085-2087 61.18
McGarry JK, Scott SK. 1990. Period doubling and chaos in a catalyst pellet. Physics Letters A. 23-26 145.1
McIlwaine RE, Fenton H, Scott SK, Taylor AF. 2008. Acid autocatalysis and front propagation in water-in-oil microemulsions. J PHYS CHEM C. 2499-2505 112.7
Mcilwaine RE, Fenton H, Scott SK, Taylor AF. 2008. Acid Autocatalysis and Front Propagation in Water-in-Oil Microemulsions.. Journal of Physical Chemistry C. pp.2499+ 112.7
Mcilwaine RE, Kovacs K, Scott SK, Taylor AF. 2006. A novel route to pH oscillators. Chemical Physics Letters. 39-42 417.1-3
Merkin J, Satnoianu R, Scott S. 2000. The development of spatial structure in an ionic chemical system induced by applied electric fields. Dynamics and Stability of Systems. 209-230 15.3
Merkin JH, Metcalf MJ, Needham DJ, Scott SK. 1995. The propagation of isothermal reaction-diffusion waves in coupled autocatalytic systems. IMA Journal of Applied Mathematics (Institute of Mathematics and Its Applications). 117-133 55.2
MERKIN JH, NEEDHAM DJ, SCOTT SK. 1987. ON THE CREATION, GROWTH AND EXTINCTION OF OSCILLATORY SOLUTIONS FOR A SIMPLE POOLED CHEMICAL-REACTION SCHEME. SIAM JOURNAL ON APPLIED MATHEMATICS. 1040-1060 47.5
Merkin JH, Needham DJ, Scott SK. 1985. SIMPLE MODEL FOR SUSTAINED OSCILLATIONS IN ISOTHERMAL BRANCHED-CHAIN OR AUTOCATALYTIC REACTIONS IN A WELL STIRRED OPEN SYSTEM - I. STATIONARY STATES AND LOCAL STABILITIES.. Proceedings of The Royal Society of London, Series A: Mathematical and Physical Sciences. 81-100 398.1814
Merkin JH, Needham DJ, Scott SK. 1985. SIMPLE MODEL FOR SUSTAINED OSCILLATIONS IN ISOTHERMAL BRANCHED-CHAIN OR AUTOCATALYTIC REACTIONS IN A WELL STIRRED OPEN SYSTEM - 2. LIMIT CYCLES AND NON-STATIONARY STATES.. Proceedings of The Royal Society of London, Series A: Mathematical and Physical Sciences. 101-116 398.1814
MERKIN JH, NEEDHAM DJ, SCOTT SK. 1989. THE DEVELOPMENT OF TRAVELING WAVES IN A SIMPLE ISOTHERMAL CHEMICAL-SYSTEM .1. QUADRATIC AUTO-CATALYSIS WITH LINEAR DECAY. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 187-209 424.1866
Merkin JH, Needham DJ, Scott SK. 1986. OSCILLATORY CHEMICAL REACTIONS IN CLOSED VESSELS.. Proceedings of The Royal Society of London, Series A: Mathematical and Physical Sciences. 299-323 406.1831
Merkin JH, Needham DJ, Scott SK. 1987. On the structural stability of a simple pooled chemical system. Journal of Engineering Mathematics. 115-127 21.2
Merkin JH, Needham DJ, Scott SK. 1993. Coupled reaction-diffusion waves in an isothermal autocatalytic chemical system. IMA Journal of Applied Mathematics (Institute of Mathematics and Its Applications). 43-76 50.1
Merkin JH, Petrov V, Scott SK, Showalter K. 1996. Ultrafast electron dynamics at cu(111): Response of an electron gas to optical excitation. Physical Review Letters. 546-549 76.3
Merkin JH, Petrov V, Scott SK, Showalter K. 1996. Wave-induced chaos in a continuously fed unstirred reactor. Journal of the Chemical Society - Faraday Transactions. 2911-2918 92.16
Merkin JH, Poole AJ, Scott SK. 1996. Chemical front initiation and propagation in the bromate-ferroin reaction. Journal of Mathematical Chemistry. 271-287 19.3
Merkin JH, Poole AJ, Scott SK. 1996. Chemical front initiation and propagation in the bromate-ferroin reaction. JOURNAL OF MATHEMATICAL CHEMISTRY. 271-287 19.3-4
Merkin JH, Poole AJ, Scott SK. 1997. Chemical wave responses to periodic stimuli in vulnerable excitable media. Journal of the Chemical Society - Faraday Transactions. 1741-1745 93.9
Merkin JH, Poole AJ, Scott SK, Masere J, Showalter K. 1998. Competitive autocatalysis in reaction-diffusion systems: Exclusive product selectivity. Journal of the Chemical Society - Faraday Transactions. 53-57 94.1
Merkin JH, Poole AJ, Scott SK, Smith JDB, Thompson BW. 1996. Analysis of the bromate-ferroin clock reaction. J MATH CHEM. 15-32 19.1
Merkin JH, Satnoianu RA, Scott SK. 1998. Travelling waves in a differential flow reactor with simple autocatalytic kinetics. Journal of Engineering Mathematics. 157-174 33.2
Merkin JH, Satnoianu RA, Scott SK. 1998. Spatiotemporal chaos in a differential flow reactor. Journal of the Chemical Society - Faraday Transactions. 1211-1216 94.9
Merkin JH, Scott SK. 1988. A failure of the pool chemical approximation chemical reaction dynamics. Dynamics and Stability of Systems. 223-233 2.3-4
Metcalf MJ, Merkin JH, Scott SK. 1993. Reaction-diffusion waves in coupled isothermal autocatalytic chemical systems. IMA Journal of Applied Mathematics (Institute of Mathematics and Its Applications). 269-298 51.3
Metcalf MJ, Merkin JH, Scott SK. 1994. Oscillating wave fronts in isothermal chemical systems with arbitrary powers of autocatalysis. Proceedings of The Royal Society of London, Series A: Mathematical and Physical Sciences. 155-174 447.1929
Metcalf MJ, Merkin JH, Scott SK. 1996. The interaction of Belousov-Zhabotinsky and Fisher-Kolmogorov waves across a semi-permeable membrane. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. 1807-1826 452.1951
Metcalf MJ, Merkin JH, Scott SK. 1996. The interaction of Belousov-Zhabotinsky and Fisher-Kolmogorov waves across a semi-permeable membrane. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. 1807-1826 452.1951
Milanesi L, Reid GD, Beddard GS, Hunter CA, Waltho JP. 2004. Synthesis and photochemistry of a new class of photocleavable protein cross-linking reagents. CHEM-EUR J. 1705-1710 10.7
Milanesi L, Waltho JP, Hunter CA, Shaw DJ, Beddard GS, Reid GD, Dev S, Volk M. 2012. Measurement of energy landscape roughness of folded and unfolded proteins.. Proc Natl Acad Sci U S A. 19563-19568 109.48
Milton RA, Scott SK. 1995. Instabilities of cubic autocatalytic waves on two and three dimensional domains. The Journal of Chemical Physics. 5271-5277 102.13
Milton RA, Scott SK. 1996. The dynamics and stability of cubic autocatalytic chemical waves in three-dimensional systems. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences. 391-419 452.1945
Milton RA, Scott SK. 1996. Instabilities in smooth 2D and 3D isothermal flames. Mathematical and Computer Modelling. 21-28 24.8
Milton RA, Scott SK. 1997. Wave selection and lateral instabilities in mixed autocatalytic systems. Journal of Chemical Physics. 6376-6384 106.15
Miranda MP, Del Rio R, Del Valle MA, Faundez M, Armijo F. 2012. Use of fluorine-doped tin oxide electrodes for lipoic acid determination in dietary supplements. Journal of Electroanalytical Chemistry. 1-6 668
Miranda MPD, Bielschowsky CE, Nascimento MAC. 1995. The degree of localization of inner-shell excited states of N2, CO2and C2H2molecules from generalized multistructural calculations. Journal of Physics B: Atomic, Molecular and Optical Physics. L15-L18 28.2
Monmayrant A, Arbouet A, Girard B, Chatel B, Barman A, Whitaker BJ, Kaplan D. 2005. Optimisation of NOPA output pulse shaping using an AOPDF with dispersion self-correction. Conference on Lasers and Electro-Optics Europe - Technical Digest.
Monmayrant A, Arbouet A, Girard B, Chatel B, Barman A, Whitaker JBC, Kaplan D. 2005. AOPDF-shaped optical parametric amplifier output in the visible. Applied Physics. B: Lasers and Optics. 177-180 81
Mukherjee A, Searson DP, Willis MJ, Scott SK. 2008. Two-dimensional simple proportional feedback control of a chaotic reaction system. PHYS REV E. 77.4
Murray-Rust P, Rzepa HS, Whitaker BJ. 1997. The World-Wide Web as a chemical information tool. Chemical Society Reviews. 1-1 26.1
Nikitin EE, Ovchinnikova MY, Shalashilin DV. 1987. Vibronic approach to dynamics of charge transfer in the [ArN2]+ system. Chemical Physics. 313-326 111.2
Novakovic K, Grosjean C, Scott SK, Whiting A, Willis MJ, Wright AR. 2007. Achieving pH and Qr oscillations in a palladium-catalysed phenylacetylene oxidative carbonylation reaction using an automated reactor system. Chemical Physics Letters. 142-147 435.1-3
Novakovic K, Grosjean C, Scott SK, Whiting A, Willis MJ, Wright AR. 2008. The influence of oscillations on product selectivity during the palladium-catalysed phenylacetylene oxidative carbonylation reaction. PHYS CHEM CHEM PHYS. 749-753 10.5
O'Dowd CD, Creasey DJ, Geever M, McFiggens G, Heard DE, Lee JD, Pilling MJ, Whitaker BJ, Smith MH, Hill MK, Jennings SG. 1998. Concurrent measurements of OH and ultra-fine particles in the coastal atmosphere. Journal of Aerosol Science. S611-S612 29
Osman OI, Whitaker BJ, Simmons NPC, Walton DRM, Nixon JF, Kroto HW. 1989. The microwave spectrum of 1-fluorophosphaethene, CH2PF. Journal of Molecular Spectroscopy. 373-380 137.2
Peng B, Scott SK, Showalter K. 1990. Period doubling and chaos in a three-variable autocatalator. Journal of Physical Chemistry. 5243-5246 94.13
Persson M, Strömquist J, Bengtsson L, Jackson B, Shalashilin DV, Hammer B. 1999. A first-principles potential energy surface for Eley–Rideal reaction dynamics of H atoms on Cu(111). The Journal of Chemical Physics. 2240-2249 110.4
Pessoa de Miranda M, Aoiz FJ. 2004. Interpretation of Quantum and Classical Angular Momentum Polarization Moments. Physical Review Letters. pp.083201+ 93.8
Pessoa de Miranda M, Aoiz FJ, Banares L, Rabanos VS. 1999. A unified quantal and classical description of the stereodynamics of elementary chemical reactions: State-resolved k-k/-j/ vector correlation for the H D2(v=0, j=0) reaction. Journal of Chemical Physics. 5368-5383 111.12
Pessoa de Miranda M, Aoiz FJ, Rabanos VS, Brouard M. 2004. Spatial distributions of angular momenta in quantum and quasiclassical stereodynamics. Journal of Chemical Physics. 9830-9843 121.20
Pessoa de Miranda M, Clary DC. 1997. Quantum dynamical stereochemistry of atom-diatom reactions. Journal of Chemical Physics. 4509-4521 106.11
Pessoa de Miranda M, Clary DC, Castillo JF, Manolopoulos DE. 1998. Using quantum rotational polarization moments to describe the stereodynamics of the H D2(v=0, j=0) -> HD(v / ,j/ ) D reaction. Journal of Chemical Physics. 3142-3153 108.8
Pessoa de Miranda M, Pogrebnya SK, Clary DC. 1999. Quantum stereodynamics of four-atom reactions: theory and application to H + OH <-> H O + H. Faraday Transactions. 119-132 113
Petrov V, Mihaliuk E, Scott SK, Showalter K. 1995. Stabilizing and characterizing unstable states in high-dimensional systems from time series. Physical Review E. 3988-3996 51.5
Petrov V, Scott SK, Showalter K. 1992. Mixed-mode oscillations in chemical systems. The Journal of Chemical Physics. 6191-6198 97.9
PETROV V, SCOTT SK, SHOWALTER K. 1994. EXCITABILITY, WAVE REFLECTION, AND WAVE SPLITTING IN A CUBIC AUTOCATALYSIS REACTION-DIFFUSION SYSTEM. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES. 631-642 347.1685
Picard-Bersellini A, Whitaker BJ. 1984. Inelastic processes induced by collisions in rotational levels of OCS perturbed by OCS, HE and AR. Journal of Molecular Structure. 347-350 115
Picard‐Bersellini A, Whitaker BJ, Brechignac P. 1983. Rotational inelastic transitions in OCS using a tunable diode laser and a frequency doubled CO2laser. The Journal of Chemical Physics. 1556-1557 79.3
Plane J, Oetjen H, de Miranda M, Saiz-Lopez A, Gausa M, Williams B. 2012. On the sodium D line emission in the terrestrial nightglow. Journal of Atmospheric and Solar-Terrestrial Physics. 181-188 74
Raffael K, Blanchet V, Chatel B, Turri G, Girard B, Garcia IA, Wilkinson I, Whitaker JBC. 2008. Time-dependent photoionization of azulene: Optically induced anistropy on the femtosecond scale. CHEMICAL PHYSICS LETTERS. 59-63 460.1-3
Raffael K, Blanchet V, Chatel B, Turri G, Girard B, Garcia IA, Wilkinson I, Whitaker JBC. 2008. Time-dependent photoionization of azulene: Optically induced anistropy on the femtosecond scale. CHEMICAL PHYSICS LETTERS. 59-63 460.1-3
Reed SK, Glowacki DR, Shalashilin DV. 2010. Quantum dynamics simulations of energy redistribution in HO-SO2. CHEM PHYS. 223-231 370.1-3
Reed SK, González-Martínez ML, Rubayo-Soneira J, Shalashilin DV. 2011. Cartesian coupled coherent states simulations: Ne(n)Br2 dissociation as a test case.. J Chem Phys. 054110+ 134.5
Reid GD, Beddard GS, Whitaker BJ, Whittaker D. 2000. Excited state dynamics and rapid internal conversion in "stable dipoles" molecules.. ABSTR PAP AM CHEM S. U221-U221 220
Reid GD, Whittaker DJ, Day MA, Creely CM, Tuite EM, Kelly JM, Beddard GS. 2001. Ultrafast electron-transfer reactions between thionine and guanosine bases. J AM CHEM SOC. 6953-6954 123.28
Reid GD, Whittaker DJ, Day MA, Turton DA, Kayser V, Kelly JM, Beddard GS. 2002. Femtosecond electron-transfer reactions in mono- and polynucleotides and in DNA. J AM CHEM SOC. 5518-5527 124.19
Reid GD, Whittaker DJ, Roth W, Whitaker BJ, Williamson MJI, Beddard GS. 2003. Excited state dynamics and rapid internal conversion in a stable dipole molecule.. Photochem Photobiol Sci. 585-590 2.5
Reid KL, McCaffery AJ, Whitaker BJ. 1991. Reid, McCaffery, and Whitaker reply. Physical Review Letters. 1937-1937 67.14
Rodrigues L, de Miranda MP, Caloca MJ, Bustelo XR, Simas JP. 2006. Activation of vav by the gammaherpesvirus M2 protein contributes to the establishment of viral latency in B lymphocytes. J VIROL. 6123-6135 80.12
Rogers LJ, Ashfold MNR, Matsumi Y, Kawasaki M, Whitaker BJ. 1996. Photolysis of CH3SH and H2S at 243.1 nm studied by photofragment ion imaging. Journal of the Chemical Society, Faraday Transactions. 5181-5181 92.24
Rogers LJ, Ashfold MNR, Matsumi Y, Kawasaki M, Whitaker BJ. 1996. The photodissociation of iodine monochloride at 235 nm. Chemical Physics Letters. 159-163 258.1-2
Ronto M, Shalashilin DV. 2013. Numerical Implementation and Test of the Modified Variational Multiconfigurational Gaussian Method for High-Dimensional Quantum Dynamics. Journal of Physical Chemistry A. 6948-6959 117.32
Russell C, Wood CD, Burnett AD, Li L, Linfield EH, Davies AG, Cunningham JE. 2013. Spectroscopy of polycrystalline materials using thinned-substrate planar Goubau line at cryogenic temperatures.. Lab on a Chip. 4065-4070 13.20
Rzepa HS, Murray-Rust P, Whitaker JBC. 1998. The application of chemical Multipurpose Internet Mail Extensions (chemical MIME) Internet standards to electronic mail and World Wide Web information exchange. Journal of Chemical Information and Computer Sciences. 976-982 38.6
Rzepa HS, Whitaker BJ, Winter MJ. 1994. Chemical applications of the World-Wide-Web system. Journal of the Chemical Society, Chemical Communications. 1907-190717
Saita K, Nix MGD, Shalashilin DV. 2013. Simulation of ultrafast photodynamics of pyrrole with a multiconfigurational Ehrenfest method. Physical Chemistry Chemical Physics. 16227-16235 15.38
Saita K, Shalashilin DV. 2012. On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method.. J Chem Phys. 22A506+ 137.22
Satnoianu R, Merkin J, Scott S. 1998. Interaction between Hopf and convective instabilities in a flow reactor with cubic autocatalator kinetics. Physical Review E. 3246-3250 57.3
Satnoianu RA, Merkin JH, Scott SK. 1998. Spatio-temporal structures in a differential flow reactor with cubic autocatalator kinetics. Physica D: Nonlinear Phenomena. 345-367 124.4
Satnoianu RA, Merkin JH, Scott SK. 1998. Differential-flow-induced instability in a cubic autocatalator system. Journal of Engineering Mathematics. 77-102 33.1
Satnoianu RA, Merkin JH, Scott SK. 1999. Forced convective structures in a differential-flow reactor. Dynamical Systems. 275-298 14.3
Satnoianu RA, Merkin JH, Scott SK. 1999. Forced Convective Structures in a Differential-Flow Reactor. Dynamics and Stability of Systems. 275-298 14
Satnoianu RA, Merkin JH, Scott SK. 2000. Pattern formation in a differential-flow reactor model. Chemical Engineering Science. 461-469 55.2
Scott SK. 1983. Reversible autocatalytic reactions in an isothermal CSTR: Multiplicity, stability and relaxation times. Chemical Engineering Science. 1701-1708 38.10
SCOTT SK. 1987. CHEMISTRY IN CHAOS. CHEMISTRY IN BRITAIN. 1183-& 23.12
Scott SK. 1984. Thermal explosion of dispersed media. Criticality for discrete reactive particles in a reactive matrix. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 1555-1568 80.12
Scott SK. 1987. Isolas, mushrooms and oscillations in isothermal, autocatalytic reaction-diffusion equations. Chemical Engineering Science. 307-315 42.2
Scott SK. 1987. Oscillations in Simple Models of Chemical Systems. Accounts of Chemical Research. 186-191 20.5
SCOTT SK. 1992. CHEMICAL-REACTIONS AS NONLINEAR-SYSTEMS. NONLINEAR SCIENCE TODAY. 1-& 2.3
Scott SK. 1985. Sustained oscillations in isothermal branched-chain reactions. Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 789-801 81.6
Scott SK. 1995. Approaching complexity. Faraday Discussions. 100
Scott SK. 1997. Chapter 5 Global behaviour in the oxidation of hydrogen, carbon monoxide and simple hydrocarbons. Comprehensive Chemical Kinetics. 439-544 35.C
Scott SK. 2002. Nonlinear kinetics special issue: Introductory comments. PHYS CHEM CHEM PHYS. V-V 4.8
Scott SK, Boddington T, Gray P. 1984. Analytical expressions for effectiveness factors in non-isothermal spherical catalysts. Chemical Engineering Science. 1079-1085 39.6
Scott SK, Farr WW. 1988. Dynamic fine structure in the cubic autocatalator. Chemical Engineering Science. 1708-1710 43.7
Scott SK, Johnson BR, Taylor AF, Tinsley MR. 2000. Complex chemical reactions. Chemical Engineering Science. 209-215 55
Scott SK, Johnson BR, Taylor AF, Tinsley MR. 2000. Complex chemical reactions - A review. CHEMICAL ENGINEERING SCIENCE. 209-215 55.2
Scott SK, Peng B, Tomlin AS, Showalter K. 1991. Transient chaos in a closed chemical system.. Journal of Chemical Physics. pp.1134+ 94
Scott SK, Peng B, Tomlin AS, Showalter K. 1991. Erratum: Transient chaos in a closed chemical system (Journal of Chemical Physics (1991) 94 (1134)). The Journal of Chemical Physics. 2227+ 95.3
SCOTT SK, PENG B, TOMLIN AS, SHOWALTER K. 1991. TRANSIENT CHAOS IN A CLOSED CHEMICAL-SYSTEM. J CHEM PHYS. 1134-1140 94.2
Scott SK, Showalter K. 1992. Simple and complex propagating reaction-diffusion fronts. Journal of Physical Chemistry. 8702-8711 96.22
Scott SK, Smith JDB. 1995. Modelling of ignition of flammable atmospheres by radiation-heated fibrous agglomerates. Proceedings - Royal Society of London, A. 199-217 450.1938
Scott SK, Smith JDB, Thompson BW. 1996. Vulnerability and spiral-wave evolution in the Belousov-Zhabotinsky reaction on a membrane surface. J CHEM SOC FARADAY T. 325-327 92.2
Scott SK, Tomlin AS. 1990. Period doubling and other complex bifurcations in chemical systems. Philosophical Transactions of the Royal Society of London, Series A: Mathematical, Physical and Engineering Sciences. pp.51+ 332
SCOTT SK, TOMLIN AS. 1990. PERIOD DOUBLING AND OTHER COMPLEX BIFURCATIONS IN NONISOTHERMAL CHEMICAL-SYSTEMS. PHILOS T ROY SOC A. 51-68 332.1624
Scott SK, Tomlin AS. 1991. Mixed-mode oscillations in the non-isothermal autocatalator. I M A Journal of Teaching Mathematics and Its Applications. pp.171+ 37
Scott SK, Wang J, Showalter K. 1997. Modelling studies of spiral waves and target patterns in premixed flames. Faraday Transactions. 1733-1739 93.9
Shackleton Z, Kilner CA, Reid GD, Halcrow MA. 2003. 2-tetracyanoethene)bis(triphenyl-phosphine-κP)pallad ium-dichloro-methane (1/0.7). Acta Crystallographica Section C: Crystal Structure Communications. 59.4
Shackleton Z, Kilner CA, Reid GD, Halcrow MA. 2003. 2-Tetracyanoethene)bis(triphenyl-phosphine-êP)palladium-dichloro-methane (1/0.7). Acta Crystallographica. Section C: Crystal Structure Communications. 136-138 C59.4
Shackleton Z, Kilner CA, Reid GD, Halcrow MA. 2003. (eta(2)-Tetracyanoethene)bis(triphenylphosphine-kappa P)palladium-dichloromethane (1/0.7). ACTA CRYSTALLOGR C. M136-M138 59
Shalashilin D. 2010. Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine. THE JOURNAL OF CHEMICAL PHYSICS. 132
Shalashilin D, Child MS. 2001. Description of tunneling with the help of coupled frozen Gaussians. Journal of Chemical Physics. 9296-9304 114.21
Shalashilin D, Child MS. 2001. Multidimensional quantum propagation with the help of coupled coherent states. Journal of Chemical Physics. 5367-5375 115.12
Shalashilin D, Child MS. 2003. Nine-dimensional quantum molecular dynamics simulation of intramolecular vibrational energy redistribution in the CHD3 molecule with the help of coupled coherent states. Journal of Chemical Physics. 1961-1969 119.4
Shalashilin D, Child MS. 2004. Quantum propagation on trajectory guided random grids of coupled coherent states. Abstracts of papers of the American Chemical Society. 279-279 227
Shalashilin D, Child MS. 2004. Real time quantum propagation on a Monte Carlo trajectory guided grids of coupled coherent states: 26D simulation of pyrazine absorption spectrum. Journal of Chemical Physics. 3563-3568 121.8
Shalashilin D, Child MS. 2004. The phase space CCS approach to quantum and semiclassical molecular dynamics for high-dimensional systems. Chemical Physics. 103-120 304.1-2
Shalashilin D, Child MS. 2005. A version of diffusion Monte Carlo method based on random grids of coherent states. II. Six-dimensional simulation of electronic state of H-2. Journal of Chemical Physics. pp.244109+ 122.22
Shalashilin D, Child MS. 2005. Electronic energy levels with the help of trajectory-guided random grid of coupled wave packets. I. Six-dimensional simulation of H-2. Journal of Chemical Physics. pp.224108+ 122.22
Shalashilin D, Child MS. 2008. Basis set sampling in the method of coupled coherent states: Coherent state swarms, trains, and pancakes. Journal of Chemical Physics. pp.054102+ 128.5
Shalashilin DV. 1995. Close coupled equations for inelastic scattering in the quasiclassical approximation. The equations for normalized amplitudes. Chemical Physics Letters. 161-166 233.1-2
Shalashilin DV. 2009. Quantum mechanics with the basis set guided by Ehrenfest trajectories: theory and application to spin-boson model.. J Chem Phys. 244101+ 130.24
Shalashilin DV. 2010. Nonadiabatic dynamics with the help of multiconfigurational Ehrenfest method: Improved theory and fully quantum 24D simulation of pyrazine.. J Chem Phys. 244111+ 132.24
Shalashilin DV. 2011. Multiconfigurational Ehrenfest approach to quantum coherent dynamics in large molecular systems. FARADAY DISCUSSIONS. 105-116 153
Shalashilin DV, Beddard GS, Paci E, Glowacki DR. 2012. Peptide kinetics from picoseconds to microseconds using boxed molecular dynamics: power law rate coefficients in cyclisation reactions.. J Chem Phys. 165102+ 137.16
Shalashilin DV, Burghardt I. 2008. Gaussian-based techniques for quantum propagation from the time-dependent variational principle: Formulation in terms of trajectories of coupled classical and quantum variables.. J Chem Phys. 084104+ 129.8
Shalashilin DV, Child MS. 2000. Time dependent quantum propagation in phase space. The Journal of Chemical Physics. 10028-10036 113.22
Shalashilin DV, Child MS. 2005. Electronic energy levels with the help of trajectory-guided random grid of coupled wave packets. I. Six-dimensional simulation of H2.. J Chem Phys. 224108+ 122.22
Shalashilin DV, Child MS. 2005. A version of diffusion Monte Carlo method based on random grids of coherent states. II. Six-dimensional simulation of electronic states of H2.. J Chem Phys. 224109+ 122.22
Shalashilin DV, Child MS. 2008. Basis set sampling in the method of coupled coherent states: coherent state swarms, trains, and pancakes.. J Chem Phys. 054102+ 128.5
Shalashilin DV, Child MS, Clary DC. 2004. Quantum initial value representation simulation of water trimer far infrared absorption spectrum.. J Chem Phys. 5608-5615 120.12
Shalashilin DV, Child MS, Kirrander A. 2008. Mechanisms of double ionization in strong laser field from simulation with Coupled Coherent States: Beyond reduced dimensionality models. CHEMICAL PHYSICS. 257-262 347.1-3
Shalashilin DV, Jackson B. 1998. Initial value representation for the classical propagator and S-matrix with the help of coherent states. Chemical Physics Letters. 143-152 291.1-2
Shalashilin DV, Jackson B. 1998. Formation and dynamics of hot-precursor hydrogen atoms on metal surfaces: Trajectory simulations and stochastic models. The Journal of Chemical Physics. 2856-2864 109.7
Shalashilin DV, Jackson B. 2000. Guiding paths and time-dependent basis sets for wavefunction propagation. Chemical Physics Letters. 305-313 318.4-5
Shalashilin DV, Jackson B, Nordholm S. 2000. A note on stochastic methods for trajectory simulations of atom–surface collisions. Surface Science. 231-239 461.1-3
Shalashilin DV, Jackson B, Persson M. 1998. Eley–Rideal and hot-atom dynamics of HD formation by H(D) incident from the gas phase on D(H)-covered Cu(111). Faraday Discussions. 287-300 110
Shalashilin DV, Jackson B, Persson M. 1999. Eley–Rideal and hot-atom reactions of H(D) atoms with D(H)-covered Cu(111) surfaces; quasiclassical studies. The Journal of Chemical Physics. 11038-11046 110.22
Shalashilin DV, Michtchenko AV, Lara F. 1993. The quasiclassical approximation in Delos—Thorson close-coupled equations for inelastic scattering. Chemical Physics Letters. 250-256 207.2-3
Shalashilin DV, Michtchenko AV, Umanskii SY, Gershenzon YM. 1995. Simulation of effective vibrational-translational energy exchange in collisions of vibrationally excited OH with O2 on the model potential energy surface. Can the relaxation of OH(v) be one-quantum for low and multiquantum for high v?. The Journal of Physical Chemistry. 11627-11635 99.30
Shalashilin DV, Thompson DL. 1996. Intrinsic non‐RRK behavior: Classical trajectory, statistical theory, and diffusional theory studies of a unimolecular reaction. The Journal of Chemical Physics. 1833-1845 105.5
Shalashilin DV, Thompson DL. 1997. Monte Carlo Variational Transition-State Theory Study of the Unimolecular Dissociation of RDX. The Journal of Physical Chemistry A. 961-966 101.5
Shalashilin DV, Thompson DL. 1997. Method for predicting IVR-limited unimolecular reaction rate coefficients. The Journal of Chemical Physics. 6204-6212 107.16
Shalashilin DV, Thompson DL. 1997. Intramolecular Dynamics Diffusion Theory: Nonstatistical Unimolecular Reaction Rates. ACS Symposium Series. 81-98 678
Shalashilin DV, Umanskii SY, Gershenzon YM. 1992. Dynamics of vibrational energy exchange in collisions of OH and OD radicals with N2. Application to the kinetics of OH-vibrational deactivation in the upper atmosphere. Chemical Physics. 315-325 168.2-3
Shen YC, Gan L, Stringer M, Burnett A, Tych K, Shen H, Cunningham JE, Parrott EPJ, Zeitler JA, Gladden LF, Linfield EH, Davies AG. 2009. Terahertz pulsed spectroscopic imaging using optimized binary masks. APPL PHYS LETT. 95.23
Sherratt PAJ, Shalashilin D, Child MS. 2006. Description of multidimensional tunnelling with the help of coupled coherent states guided by classical Hamiltonians with quantum corrections. Chemical Physics. 127-134 322.1-2
Simon P, Kalliadasis S, Merkin JH, Scott SK. 2002. Quenching of flame propagation through endothermic reaction. Journal of Mathematical Chemistry. 73-98 32.1
Simon P, Kalliadasis S, Merkin JH, Scott SK. 2002. Quenching of flame propagation with heat loss. Journal of Mathematical Chemistry. 313-332 31.3
Simon PL, Kalliadasis S, Merkin JH, Scott SK. 2003. Evans function analysis of the stability of non-adiabatic flames. COMBUST THEOR MODEL. 545-561 7.3
Simon PL, Kalliadasis S, Merkin JH, Scott SK. 2003. Inhibition of flame propagation by an endothermic reaction. I M A Journal of Teaching Mathematics and Its Applications. 537-562 68.5
Simon PL, Kalliadasis S, Merkin JH, Scott SK. 2004. Stability of flames in an exothermic-endothermic system. IMA J APPL MATH. 175-203 69.2
Simon PL, Scott SK, Kalliadasis S, Merkin JH. 2004. On the structure of the spectra for a class of combustion waves. J MATH CHEM. 309-328 35.4
Simon PL, Scott SK, Kalliadasis S, Merkin JH. 2005. The effect of a radical scavenger on the propagation of flames in an exothermic-endothermic system. J MATH CHEM. 203-231 38.2
Smith AP, Hall G, Whitaker BJ, Astill AG, Neyer DW, Delve PA. 1995. Effects of inert gases on the degenerate four-wave-mixing spectrum of NO2. Applied Physics B Laser and Optics. 11-18 60.1
Smith JA, Gotts NG, Winkel JF, Hallett R, Woodward CA, Stace AJ, Whitaker BJ. 1992. The decay dynamics of photoexcited argon cluster ions. The Journal of Chemical Physics. 397-407 97.1
Smith JA, Winkel J, Gotts NG, Stace AJ, Whitaker BJ. 1992. Hadamard transform imaging spectrometer for time- and energy-resolved photofragmentation spectroscopy. The Journal of Physical Chemistry. 9696-9703 96.24
Smith JA, Winkel JF, Jones AB, Stace AJ, Whitaker BJ. 1994. The detection of fast neutral fragments following the photodissociation of krypton cluster ions. The Journal of Chemical Physics. 6412-6421 100.9
Smith JA, Winkel JF, Stace AJ, Whitaker BJ. 1993. Application ofB-E time-of-flight mass spectrometry to the detection of high-energy neutral atoms following the photoexcitation of Ar19+. Organic Mass Spectrometry. 523-526 28.5
SOLTZBERG LJ, GRIFFITHS JF, SCOTT SK. 1990. MODELING THE FLASHBACK OSCILLATOR. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 175-PHYS 199
Soltzberg LJ, Ng AR, Suarez LL, Scott SK, Griffiths JF. 1996. Bulk-scale modelling of a combustion oscillator. Journal of the Chemical Society - Faraday Transactions. 2983-2988 92.16
Stace AJ, Woodward CA, Whitaker BJ. 1991. The expulsion of excited state Ar+2 from argon cluster ions. Chemical Physics Letters. 113-117 184.1-3
Sterligov VA, Lysenko SI, Aschieri P, Baldi P, Chanvillard L, De Micheli M. 2002. Elastic light scattering with a LiNbO_3 waveguide. Applied Optics. 1418-1418 41.7
Suits AG, Bontuyan LS, Houston PL, Whitaker BJ. 1992. Differential cross sections for state‐selected products by direct imaging: Ar+NO. The Journal of Chemical Physics. 8618-8620 96.11
Sun HY, Scott SK, Showalter K. 1999. Uncertain destination dynamics. PHYSICAL REVIEW E. 3876-3880 60.4
Suzuki T, Hradil VP, Hewitt SA, Houston PL, Whitaker BJ. 1991. Two-dimensional imaging of state-selected photofragments: the 355 nm photolysis of NO2. Chemical Physics Letters. 257-262 187.3
Suzuki T, Whitaker JBC. 2001. Non-adiabatic effects in chemistry revealed by time-resolved charged-particle imaging. International Reviews in Physical Chemistry. 313-356 20.3
Tate DJ, Anemian R, Bushby RJ, Nanan S, Warriner SL, Whitaker BJ. 2012. Improved syntheses of high hole mobility phthalocyanines: A case of steric assistance in the cyclo-oligomerisation of phthalonitriles. BEILSTEIN JOURNAL OF ORGANIC CHEMISTRY. 120-128 8
Taylor AF, Armstrong G, Goodchild N, Scott SK. 2003. Propagation of chemical waves across inexcitable gaps. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 3928-3932 5.18
Taylor AF, Gaspar V, Johnson BR, Scott SK. 1999. Analysis of reaction-diffusion waves in the ferroin-catalysed reaction. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 4595-4599 1.19
Taylor AF, Gaspar V, Johnson BR, Scott SK. 1999. Analysis of reaction-diffusion waves in the ferroin-catalysed Belousov-Zhabotinsky reaction. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 4595-4599 1.19
Taylor AF, Johnson BR, Scott SK. 1998. Effect of oxygen on wave propagation in the ferroin-catalysed Belousov-Zhabotinsky reaction. Faraday Transactions. 1029-1033 94.8
Taylor AF, Johnson BR, Scott SK. 1999. Scroll waves in the Belousov-Zhabotinsky reaction: exploitation of O2-effect on the ferroin-catalysed system. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 807-812 1
Taylor AF, Kapetanopoulos P, Whitaker BJ, Toth R, Bull L, Tinsley MR. 2008. Phase clustering in globally coupled photochemical oscillators. European Physical Journal Special Topics. 137+ 165
Taylor AF, Kapetanopoulos P, Whitaker BJ, Toth R, Bull L, Tinsley MR. 2008. Clusters and switchers in globally coupled photochemical oscillators. Physical Review Letters. pp.214101+ 100
Ticktin A, Whitaker BJ, McCaffery AJ. 1987. Computational test of fitting laws for rotational energy transfer. Chemical Physics Letters. 571-575 139.6
Toth A, Horvath D, Jakab E, Merkin JH, Scott SK. 2001. Lateral instabilities in cubic autocatalytic reaction fronts: The effect of autocatalyst decay. Journal of Chemical Physics. 9947-9952 114.22
Toth R, Gaspar V, Belmonte A, O'Connell MC, Taylor AF, Scott SK. 2000. Wave initiation in the ferroin-catalysed Belousov-Zhabotinsky reaction with visible light. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 413-416 2.3
Toth R, Papp A, Gaspar V, Merkin JH, Scott SK, Taylor AF. 2001. Flow-driven instabilities in the Belousov–Zhabotinsky reaction: Modelling and experiments. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 957-964 3.6
Trevelyan PMJ, Kalliadasis S, Merkin JH, Scott SK. 2001. Circulation enhancement of mass transport in a cavity. Chemical Engineering Science. 5177-5188 56
Trevelyan PMJ, Kalliadasis S, Merkin JH, Scott SK. 2001. Circulation and reaction enhancement of mass transport in a cavity. Chemical Engineering Science. 5177-5188 56.17
Trevelyan PMJ, Kalliadasis S, Merkin JH, Scott SK. 2002. Mass-transport enhancement in regions bounded by rigid walls. Journal of Engineering Mathematics. 45-64 42.1
Trevelyan PMJ, Kalliadasis S, Merkin JH, Scott SK. 2002. Dynamics of a vertically falling film in the presence of a first-order chemical reaction. Physics of Fluids. 2402-2421 14.7
Tsubouchi M, Whitaker JBC, Suzuki T. 2004. Femtosecond photoelectron imaging on pyrazine: S-1 -> T-1 intersystem crossing and rotational coherence transfer. Journal of Physical Chemistry A. 6823-6835 108.33
Tsubouchi M, Whitaker JBC, Wang L, Kohguchi H, Suzuki T. 2001. Photoelectron Imaging on Time-Dependent Molecular Alignment Created by a Femtosecond Laser Pulse. Physical Review Letters. 4500-4503 86.20
Turton D, Welsh G, Carey J, Reid GD, Beddard GS, Wynne K. 2006. Alternating high-voltage biasing for terahertz large-area photoconductive emitters. Review of Scientific Instruments. pp.083111+ 77.8
Turton DA, Reid GD, Beddard GS. 2003. Accurate analysis of fluorescence decays from single molecules in photon counting experiments. ANAL CHEM. 4182-4187 75.16
Turton DA, Welsh GH, Carey JJ, Reid GD, Beddard GS, Wynne K. 2006. Alternating high-voltage biasing for terahertz large-area photoconductive emitters. REV SCI INSTRUM. 77.8
Tych KM, Burnett AD, Wood CD, Cunningham JE, Pearson AR, Davies AG, Linfield EH. 2011. Applying broadband terahertz time-domain spectroscopy to the analysis of crystalline proteins: a dehydration study. J APPL CRYSTALLOGR. 129-133 44
Upadhya P, Fan W, Burnett AD, Cunningham J, Davies AG, Linfield EH, Lloyd Hughes J, Castro-Camus E, Johnston MB, Beere HE. 2007. Excitation density dependent generation of broadband terahertz radiation in an asymmetrically- excited photoconductive antenna. Optics Letters. 2297-2299 32.16
Wake GC, Scott SK, Brindley J. 1991. Multiplicity of steady state solutions for combustion in a solid sphere with arbitrary Biot number. Physics Letters A. 16-20 153.1
Wang J, Sun H, Scott SK, Showalter K. 2003. Uncertain dynamics in nonlinear chemical reactions. Physical Chemistry, Chemical Physics: a journal of European Chemical Societies. 5444-5447 5.24
Whitaker BJ. 2011. Chemistry. Shining light on diabolic points.. Science. 187-188 334.6053
Whitaker BJ. 2011. Shining light on diabolic points. Science. 187188+ 334.6053
Whitaker BJ, Brechignac P. 1983. A new fitting law for rotational energy transfer. Chemical Physics Letters. 407-412 95.4-5
Whitaker BJ, McCaffery AJ. 1982. Reorientation in H-NH2 collisions, a spin correlated interaction. Chemical Physics Letters. 185-189 86.2
Whitaker BJ, McCaffery AJ. 1983. Transfer of state multipoles in open shell molecule–open shell molecule scattering. The Journal of Chemical Physics. 3857-3868 78.6
Whitaker BJ, Woodward CA, Knowles PJ, Stace AJ. 1990. On the origin of metastable decay in Ar+2. The Journal of Chemical Physics. 376-383 93.1
Wikinson I, Gacia IA, Whitaker BJ, Hamard JB, Blanchet V. 2010. The photodissociation of NO2 by visible and ultraviolet light. Physical Chemistry Chemical Physics. 15766-15779 12.48
Wilkinson I, de Miranda MP, Whitaker BJ. 2009. Photodissociation of NO2 in the (2) B-2(2) state: The O(D-1(2)) dissociation channel. JOURNAL OF CHEMICAL PHYSICS. 131.5
Wilkinson I, Whitaker BJ. 2008. Photodissociation of NO2 in the (2)B-2(2) state: A slice imaging study and reinterpretation of previous results. JOURNAL OF CHEMICAL PHYSICS. 129.15
Wilkinson I, Whitaker BJ. 2010. Some remarks on the photodynamics of NO2. Annual Reports on Progress in Physical Chemistry Section C. 274-304 106
Wilkinson I, Whitaker BJ. 2010. Some remarks on the photodynamics of NO2. Annual Reports Section C: Physical Chemistry. 274-304 106
Woodward CA, Whitaker BJ, Knowles PJ, Stace AJ. 1992. The infrared photofragmentation of Ar+2. Evidence of excited state population from dimer and cluster ionization. The Journal of Chemical Physics. 3666-3677 96.5
Woodward CA, Whitaker BJ, Stace AJ. 1990. Faraday communications. Ultraviolet photodissociation of Ar + 2 and Ar + 3. Journal of the Chemical Society, Faraday Transactions. 2069-2069 86.11
Wrobel MM, Bánsági T, Scott SK, Taylor AF, Bounds CO, Carranzo A, Pojman JA. 2012. PH wave-front propagation in the urea-urease reaction. Biophysical Journal. 610-615 103.3
Wu J, Augstein BB, De CF, Faria M, Kirrander A, Shalashilin D. 2012. Coupled-coherent state approach for high-order harmonic generation. International Conference on Ultrafast Structural Dynamics, ICUSD 2012.
Wu J, Augstein BB, Kirrander A, Shalashilin D, De CF. 2012. Coupled-coherent state approach for high-order harmonic generation. Optics InfoBase Conference Papers.
Wu J, Augstein BB, Kirrander A, Shalashilin D, De CF, Faria M. 2011. Coupled-coherent state approach for high-order harmonic generation. Optics InfoBase Conference Papers.
Wu J, Augstein BB, Kirrander A, Shalashilin D, De CF, Faria M. 2012. Coupled-coherent state approach for high-order harmonic generation. High Intensity Lasers and High Field Phenomena, HILAS 2012.
Wu J, Augstein BB, Kirrander A, Shalashilin D, De CF, Faria M. 2012. Coupled-coherent state approach for high-order harmonic generation. International Conference on Ultrafast Structural Dynamics, ICUSD 2012.
Wynne K, Haran G, Reid GD, Moser CC, Dutton PL, Hochstrasser RM. 1996. Femtosecond infrared spectroscopy of low lying excited states in reaction centres of Rhodobacter sphaeroides. Journal of Physical Chemistry. 5140-5148 100
Wynne K, Reid GD, Hochstrasser RM. 1996. Vibrational coherence in electron transfer: The tetracyanethylene - pyrene complex. Journal of Chemical Physics. 2287-2297 105.6
Yang JB, Kalliadasis S, Merkin JH, Scott SK. 2001. Wave propagation in distributed media. CHAOS. 479-486 11.3
Yang JB, Kalliadasis S, Merkin JH, Scott SK. 2003. Wave propagation in spatially distributed excitable media. SIAM J APPL MATH. 485-509 63.2
Ye SY, Shalashilin D, Serafini A. 2012. Modeling of quantum-information processing with Ehrenfest guided trajectories: A case study with spin-boson-like couplings. Physical Review A - Atomic, Molecular, and Optical Physics. 86.3
Zhang G, Merkin JH, Scott SK. 1991. Reaction-diffusion model for combustion with fuel consumption: I. Dirichlet boundary conditions. IMA Journal of Applied Mathematics (Institute of Mathematics and Its Applications). 33-60 47.1
Zhang G, Merkin JH, Scott SK. 1993. Reaction-diffusion model for combustion with fuel consumption: II. Robin boundary conditions. IMA Journal of Applied Mathematics (Institute of Mathematics and Its Applications). 69-93 51.1
Griffiths JF, MacNamara JP, Whitaker BJ. 2000. Stratification in a rapid compression machine. In: International Symposium on Combustion Abstracts of Accepted Papers.

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