Publications

Huang, M. - J. ; Schofield, J. ; Kapral, R. . Active Particles Propelled By Chemical Reactions. In Self-organized Motion: Physicochemical Design based on Nonlinear Dynamics; Self-organized Motion: Physicochemical Design based on Nonlinear Dynamics; The Royal Society of Chemistry, 2019; pp 315-338.

Chen, J. - X. ; Chen, Y. - G. ; Kapral, R. . Chemically Propelled Motors Navigate Chemical Patterns. Advanced Science 2018, 5. PDF (3.32 MB)

Robertson, B. ; Stark, H. ; Kapral, R. . Collective Orientational Dynamics Of Pinned Chemically-Propelled Nanorotors. Chaos 2018, 28, 045109. PDF (2.19 MB)

Reigh, S. Y. ; Chuphal, P. ; Thakur, S. ; Kapral, R. . Diffusiophoretically Induced Interactions Between Chemically Active And Inert Particles. Soft Matter 2018, 14, 6043-6057. PDF (1.06 MB)

Huang, M. - J. ; Schofield, J. ; Gaspard, P. ; Kapral, R. . Dynamics Of Janus Motors With Microscopically Reversible Kinetics. Journal of Chemical Physics 2018, 149. PDF (817.81 KB)

Gaspard, P. ; Grosfils, P. ; Huang, M. - J. ; Kapral, R. . Finite-Time Fluctuation Theorem For Diffusion-Influenced Surface Reactions On Spherical And Janus Catalytic Particles. Journal of Statistical Mechanics: Theory and Experiment 2018, 2018. PDF (845.71 KB)

Gaspard, P. ; Kapral, R. . Finite-Time Fluctuation Theorem For Diffusion-Influenced Surface Reactions. Journal of Statistical Mechanics: Theory and Experiment 2018, 2018. PDF (673.27 KB)

Gaspard, P. ; Kapral, R. . Fluctuating Chemohydrodynamics And The Stochastic Motion Of Self-Diffusiophoretic Particles. Journal of Chemical Physics 2018, 148 (13), 134104. PDF (348.23 KB)

Gaspard, P. ; Kapral, R. . Nonequilibrium Thermodynamics And Boundary Conditions For Reaction And Transport In Heterogeneous Media. Journal of Chemical Physics 2018, 148. PDF (385.77 KB)

Robertson, B. ; Huang, M. - J. ; Chen, J. - X. ; Kapral, R. . Synthetic Nanomotors: Working Together Through Chemistry. Accounts of Chemical Research, 2018, 51, 2355-2364. PDF (326.13 KB)

Huang, M. - J. ; Schofield, J. ; Kapral, R. . Chemotactic And Hydrodynamic Effects On Collective Dynamics Of Self-Diffusiophoretic Janus Motors. New Journal of Physics 2017, 19, 125003. meso-janus-collective_njp.-2017.pdf (759.9 KB)

Gaspard, P. ; Kapral, R. . Communication: Mechanochemical Fluctuation Theorem And Thermodynamics Of Self-Phoretic Motors. Journal of Chemical Physics 2017, 147. PDF (251.42 KB)

Dennison, M. ; Kapral, R. ; Stark, H. . Diffusion In Systems Crowded By Active Force-Dipole Molecules. Soft Matter 2017, 13, 3741-3749. PDF (2.55 MB)

Colberg, P. H. ; Kapral, R. . Many-Body Dynamics Of Chemically Propelled Nanomotors. Journal of Chemical Physics 2017, 147.

Huang, M. - J. ; Schofield, J. ; Kapral, R. . Transport In Active Systems Crowded By Obstacles. Journal of Physics A: Mathematical and Theoretical 2017, 50. PDF (1022.13 KB)

Reigh, S. Y. ; Huang, M. - J. ; Schofeld, J. ; Kapral, R. . Microscopic And Continuum Descriptions Of Janus Motor Fluid Flow Felds. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 2016, 374. meso-janus-flow-2016.pdf (1.53 MB)

Huang, M. - J. ; Schofield, J. ; Kapral, R. . A Microscopic Model For Chemically-Powered Janus Motors. Soft Matter 2016, 12, 5581-5589. meso-janus-hard-sm-2016.pdf (2.99 MB)

Kapral, R. ; Mikhailov, A. S. . Stirring A Fluid At Low Reynolds Numbers: Hydrodynamic Collective Effects Of Active Proteins In Biological Cells. Physica D: Nonlinear Phenomena 2016, 318-319, 100-104. force-dipole-physicsd-2016.pdf (1.83 MB)

Kapral, R. . Surface Hopping From The Perspective Of Quantum–Classical Liouville Dynamics. Chemical Physics 2016, 481, 77-83. mqc-surfhop-cp-2016.pdf (361.29 KB)

Reigh, S. Y. ; Kapral, R. . Catalytic Dimer Nanomotors: Continuum Theory And Microscopic Dynamics. Soft Matter 2015, 11, 3149-3158. meso-sphere-dimer-soft-mat-2015.pdf (2.32 MB)

Huang, M. - J. ; Kapral, R. . A Catalytic Oligomeric Motor That Walks Along A Filament Track. Journal of Chemical Physics 2015, 142. meso-filament-motor-jcp-2015.pdf (2 MB)

Echeverria, C. ; Kapral, R. . Enzyme Kinetics And Transport In A System Crowded By Mobile Macromolecules. Physical Chemistry Chemical Physics 2015, 17, 29243-29250. PDF (2.75 MB)

Mikhailov, A. S. ; Kapral, R. . Hydrodynamic Collective Effects Of Active Protein Machines In Solution And Lipid Bilayers. Proceedings of the National Academy of Sciences of the United States of America 2015, 112, E3639-E3644. force-dipoles-pnas-2015.pdf (578.12 KB)

Colberg, P. H. ; Kapral, R. . Nanoconfined Catalytic Ångström-Size Motors. Journal of Chemical Physics 2015, 143. chemotactic-hydrodynamic-effects-jcp-2017.pdf (3.82 MB)

Robertson, B. ; Kapral, R. . Nanomotor Dynamics In A Chemically Oscillating Medium. Journal of Chemical Physics 2015, 142.

Kapral, R. . Quantum Dynamics In Open Quantum-Classical Systems. Journal of Physics Condensed Matter, 2015, 27.

Ryabinkin, I. G. ; Hsieh, C. - Y. ; Kapral, R. ; Izmaylov, A. F. . Analysis Of Geometric Phase Effects In The Quantum-Classical Liouville Formalism. Journal of Chemical Physics 2014, 140. mqc-geometric-phase-jcp-2014.pdf (2.98 MB)

Colberg, P. H. ; Kapral, R. . Ångström-Scale Chemically Powered Motors. EPL 2014, 106. meso-angstrom-scale-epl-2014.pdf (1.3 MB)

Colberg, P. H. ; Reigh, S. Y. ; Robertson, B. ; Kapral, R. . Chemistry In Motion: Tiny Synthetic Motors. Accounts of Chemical Research, 2014, 47, 3504-3511.

Echeverria, C. ; Kapral, R. . Diffusional Correlations Among Multiple Active Sites In A Single Enzyme. Physical Chemistry Chemical Physics 2014, 16, 6211-6216. meso-mult-sites-4ot-pccp-14.pdf (2.44 MB)

Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Condensed Phase Quantum Processes. RSC Theoretical and Computational Chemistry Series 2014, 233-259.

Sarkar, D. ; Thakur, S. ; Tao, Y. - G. ; Kapral, R. . Ring Closure Dynamics For A Chemically Active Polymer. Soft Matter 2014, 10, 9577-9584. meso-ring-closure-sm-2014.pdf (1.51 MB)

Hsieh, C. - Y. ; Kapral, R. . Analysis Of The Forward-Backward Trajectory Solution For The Mixed Quantum-Classical Liouville Equation. Journal of Chemical Physics 2013, 138. PDF (741.29 KB)

Huang, M. - J. ; Kapral, R. ; Mikhailov, A. S. ; Chen, H. - Y. . Coarse-Grain Simulations Of Active Molecular Machines In Lipid Bilayers. Journal of Chemical Physics 2013, 138. PDF (464.5 KB)

Hsieh, C. - Y. ; Schofield, J. ; Kapral, R. . Forward-Backward Solution Of Quantum-Classical Liouville Equation In The Adiabatic Mapping Basis. Molecular Physics 2013, 111, 3546-3554. mqc-open-qc-syst-jphys-2015.pdf (874.07 KB)

Kapral, R. . Perspective: Nanomotors Without Moving Parts That Propel Themselves In Solution. Journal of Chemical Physics, 2013, 138.

De Buyl, P. ; Kapral, R. . Phoretic Self-Propulsion: A Mesoscopic Description Of Reaction Dynamics That Powers Motion. Nanoscale 2013, 5, 1337-1344. meso-nanoscale-phoretic-13.pdf (546.74 KB)

De Buyl, P. ; Mikhailov, A. S. ; Kapral, R. . Self-Propulsion Through Symmetry Breaking. EPL 2013, 103. meso-prop-sym-break-epl-13.pdf (512 KB)

Huang, M. - J. ; Kapral, R. ; Mikhailov, A. S. ; Chen, H. - Y. . Coarse-Grain Model For Lipid Bilayer Self-Assembly And Dynamics: Multiparticle Collision Description Of The Solvent. Journal of Chemical Physics 2012, 137. meso-lipid-jcp-12.pdf (464.5 KB)

Thakur, S. ; Kapral, R. . Collective Dynamics Of Self-Propelled Sphere-Dimer Motors. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2012, 85. meso-collective-pre-12.pdf (860.52 KB)

Kelly, A. ; Van Zon, R. ; Schofield, J. ; Kapral, R. . Mapping Quantum-Classical Liouville Equation: Projectors And Trajectories. Journal of Chemical Physics 2012, 136. mqc_map-proj-jcp-12.pdf (964.92 KB)

Schofield, J. ; Inder, P. ; Kapral, R. . Modeling Of Solvent Flow Effects In Enzyme Catalysis Under Physiological Conditions. Journal of Chemical Physics 2012, 136. meso-pgk-jcp-12.pdf (1.09 MB)

Echeverria, C. ; Kapral, R. . Molecular Crowding And Protein Enzymatic Dynamics. Physical Chemistry Chemical Physics 2012, 14, 6755-6763. meso-ake-crowd-pccp-12.pdf (430.53 KB)

Hsieh, C. - Y. ; Kapral, R. . Nonadiabatic Dynamics In Open Quantum-Classical Systems: Forward-Backward Trajectory Solution. Journal of Chemical Physics 2012, 137. mqc-fb-jcp-12.pdf (270.88 KB)

Thakur, S. ; Kapral, R. . Dynamics Of Self-Propelled Nanomotors In Chemically Active Media. Journal of Chemical Physics 2011, 135. meso_nanomotor-active-media-jcp-2011.pdf (468.9 KB)

Thakur, S. ; Chen, J. - X. ; Kapral, R. . Interaction Of A Chemically Propelled Nanomotor With A Chemical Wave. Angewandte Chemie - International Edition 2011, 50, 10165-10169. meso_wave-dimer-agc2-2011.pdf (1.78 MB)

Chen, J. - X. ; Kapral, R. . Mesoscopic Dynamics Of Diffusion-Influenced Enzyme Kinetics. Journal of Chemical Physics 2011, 134. meso-enzyme-kinetics-jcp-11.pdf (884.6 KB)

Echeverria, C. ; Togashi, Y. ; Mikhailov, A. S. ; Kapral, R. . A Mesoscopic Model For Protein Enzymatic Dynamics In Solution. Physical Chemistry Chemical Physics 2011, 13, 10527-10537. meso_ake-pccp-2011.pdf (1.89 MB)

Nassimi, A. ; Bonella, S. ; Kapral, R. . Analysis Of The Quantum-Classical Liouville Equation In The Mapping Basis. Journal of Chemical Physics 2010, 133. mqc-ali-map3-jcp-10.pdf (254.57 KB)

Echeverria, C. ; Kapral, R. . Autocatalytic Reaction Dynamics In Systems Crowded By Catalytic Obstacles. Physica D: Nonlinear Phenomena 2010, 239, 791-796. meso-crowd-auto-react-physicad-2010.pdf (1.4 MB)

Valadares, L. F. ; Tao, Y. - G. ; Zacharia, N. S. ; Kitaev, V. ; Galembeck, F. ; Kapral, R. ; Ozin, G. A. . Catalytic Nanomotors: Self-Propelled Sphere Dimers. Small 2010, 6, 565-572. meso-small-10.pdf (673.31 KB)

Rank, J. P. ; Kapral, R. . Decoherence And Quantum-Classical Dynamics In A Dissipative Bath. Journal of Chemical Physics 2010, 132. mqc-rank-dissipative-jcp-10.pdf (210.63 KB)

Bonella, S. ; Ciccotti, G. ; Kapral, R. . Linearization Approximations And Liouville Quantum-Classical Dynamics. Chemical Physics Letters 2010, 484, 399-404. mqc-sara-linear-cpl-10.pdf (388.4 KB)

Echeverria, C. ; Kapral, R. . Macromolecular Dynamics In Crowded Environments. Journal of Chemical Physics 2010, 132. meso-polymer-crowd-jcp-2010.pdf (785.99 KB)

Sakaue, T. ; Kapral, R. ; Mikhailov, A. S. . Nanoscale Swimmers: Hydrodynamic Interactions And Propulsion Of Molecular Machines. European Physical Journal B 2010, 75, 381-387. PDF (1.26 MB)

Kelly, A. ; Kapral, R. . Quantum-Classical Description Of Environmental Effects On Electronic Dynamics At Conical Intersections. Journal of Chemical Physics 2010, 133. mqc-kelly-conical-jcp-10.pdf (885.15 KB)

Thakur, S. ; Kapral, R. . Self-Propelled Nanodimer Bound State Pairs. Journal of Chemical Physics 2010, 133. PDF (677.4 KB)

Tao, Y. - G. ; Kapral, R. . Swimming Upstream: Self-Propelled Nanodimer Motors In A Flow. Soft Matter 2010, 6, 756-761. PDF (254.88 KB)

Tao, Y. - G. ; Kapral, R. . Dynamics Of Chemically Powered Nanodimer Motors Subject To An External Force. Journal of Chemical Physics 2009, 131. PDF (346.59 KB)

Desai, R. ; Kapral, R. . Dynamics Of Self-Organized And Self-Assembled Structures; Dynamics of Self-Organized and Self-Assembled Structures; Cambridge University Press: Cambridge, 2009; pp 1-328.

Alonso, S. ; Bär, M. ; Kapral, R. . Effective Medium Approach For Heterogeneous Reaction-Diffusion Media. Journal of Chemical Physics 2009, 131. PDF (533.45 KB)

Alonso, S. ; Kapral, R. ; Bär, M. . Effective Medium Theory For Reaction Rates And Diffusion Coefficients Of Heterogeneous Systems. Physical Review Letters 2009, 102. PDF (1.15 MB)

Nassimi, A. ; Kapral, R. . Mapping Approach For Quantum-Classical Time Correlation Functions 1. Canadian Journal of Chemistry 2009, 87, 880-890. mqc_mapping-correl-cjc-09.pdf (202.83 KB)

Tao, Y. - G. ; Kapral, R. . Self-Propelled Polymer Nanomotors. ChemPhysChem 2009, 10, 770-773. PDF (361.79 KB)

Tao, Y. - G. ; Kapral, R. . Design Of Chemically Propelled Nanodimer Motors. Journal of Chemical Physics 2008, 128. PDF (1.29 MB)

Davidsen, J. ; Zhan, M. ; Kapral, R. . Filament-Induced Surface Spiral Turbulence In Three-Dimensional Excitable Media. Physical Review Letters 2008, 101. PDF (1.28 MB)

Cressman, A. ; Togashi, Y. ; Mikhailov, A. S. ; Kapral, R. . Mesoscale Modeling Of Molecular Machines: Cyclic Dynamics And Hydrodynamical Fluctuations. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2008, 77. PDF (448.29 KB)

Kapral, R. . Multiparticle Collision Dynamics: Simulation Of Complex Systems On Mesoscales. In Advances in Chemical Physics; Advances in Chemical Physics; 2008; Vol. 140, pp 89-146.

Kim, H. ; Kapral, R. . Proton And Deuteron Transfer Reactions In Molecular Nanoclusters. ChemPhysChem 2008, 9, 470-474. PDF (353.92 KB)

Kim, H. ; Nassimi, A. ; Kapral, R. . Quantum-Classical Liouville Dynamics In The Mapping Basis. Journal of Chemical Physics 2008, 129. PDF (152.72 KB)

Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Proton And Deuteron Transfer Rates In A Solvated Hydrogen-Bonded Complex. Journal of Chemical Physics 2008, 128. PDF (390.64 KB)

Rohlf, K. ; Fraser, S. ; Kapral, R. . Reactive Multiparticle Collision Dynamics. Computer Physics Communications 2008, 179, 132-139. PDF (755.95 KB)

Grunwald, R. ; Kim, H. ; Kapral, R. . Surface-Hopping Dynamics And Decoherence With Quantum Equilibrium Structure. Journal of Chemical Physics 2008, 128. PDF (431.67 KB)

D. Kernan, M. ; Ciccotti, G. ; Kapral, R. . Trotter-Based Simulation Of Quantum-Classical Dynamics. Journal of Physical Chemistry B 2008, 112, 424-432. PDF (144.4 KB)

Rousseau, G. ; Chat́, H. ; Kapral, R. . Twisted Vortex Filaments In The Three-Dimensional Complex Ginzburg-Landau Equation. Chaos 2008, 18. PDF (3.49 MB)

Rückner, G. ; Kapral, R. . Chemically Powered Nanodimers. Physical Review Letters 2007, 98. PDF (585.72 KB)

Grunwald, R. ; Kapral, R. . Decoherence And Quantum-Classical Master Equation Dynamics. Journal of Chemical Physics 2007, 126. PDF (279.89 KB)

Echevería, C. ; Tucci, K. ; Kapral, R. . Diffusion And Reaction In Crowded Environments. Journal of Physics Condensed Matter 2007, 19. PDF (319.67 KB)

Kim, H. ; Kapral, R. . Quantum Equilibrium Structure For Strong Nonadiabatic Coupling: Reaction Rate Enhancement. Chemical Physics Letters 2007, 440, 215-220. mqc-kim-cluster-cpc-08.pdf (353.92 KB)

Kim, H. ; Kapral, R. . Quantum Reaction Rates And Sampling Of Quantum Equilibrium Structure. Journal of Chemical Physics 2007, 127. PDF (88.21 KB)

Ciccotti, G. ; Coker, D. F. ; Kapral, R. . Quantum Statistical Dynamics With Trajectories. Springer Series in Chemical Physics 2007, 83, 275-293. PDF (495.55 KB)

Hanna, G. ; Kim, H. ; Kapral, R. . Quantum-Classical Reaction Rate Theory. Springer Series in Chemical Physics 2007, 83, 295-319. chapter_final.pdf (345.49 KB)

Kim, H. ; Hanna, G. ; Kapral, R. . Analysis Of Kinetic Isotope Effects For Nonadiabatic Reactions. Journal of Chemical Physics 2006, 125. PDF (164.27 KB)

Zhan, M. ; Kapral, R. . Destruction Of Spiral Waves In Chaotic Media. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2006, 73. PDF (556.26 KB)

Lee, S. H. ; Kapral, R. . Mesoscopic Description Of Solvent Effects On Polymer Dynamics. Journal of Chemical Physics 2006, 124. PDF (338.18 KB)

Hanna, G. ; Kapral, R. . Nonadiabatic Dynamics Of Condensed Phase Rate Processes. Accounts of Chemical Research 2006, 39, 21-27. mqc-accounts06.pdf (149.81 KB)

Kapral, R. . Progress In The Theory Of Mixed Quantum-Classical Dynamics. Annual Review of Physical Chemistry, 2006, 57, 129-157.

Kim, H. ; Kapral, R. . Quantum Bath Effects On Nonadiabatic Reaction Rates. Chemical Physics Letters 2006, 423, 76-80. PDF (156.18 KB)

Kim, H. ; Kapral, R. . Solvation And Proton Transfer In Polar Molecule Nanoclusters. Journal of Chemical Physics 2006, 125. PDF (179.14 KB)

Rohlf, K. ; Glass, L. ; Kapral, R. . Spiral Wave Dynamics In Excitable Media With Spherical Geometries. Chaos 2006, 16. PDF (1 MB)

Kapral, R. ; Ciccotti, G. . Transport Coefficients Of Quantum-Classical Systems. Lecture Notes in Physics 2006, 703, 519-551. PDF (1.49 MB)

Ciccotti, G. ; Kapral, R. ; Vanden-Eijnden, E. . Blue Moon Sampling, Vectorial Reaction Coordinates, And Unbiased Constrained Dynamics. ChemPhysChem 2005, 6, 1809-1814. PDF (96.11 KB)

Sergi, A. ; Kapral, R. . Erratum: Nonadiabatic Reaction Rates For Dissipative Quantum-Classical Systems (Journal Of Chemical Physics (2003) 119 (12776)). Journal of Chemical Physics 2005, 123.

Davidsen, J. ; Mikhailov, A. ; Kapral, R. . Front Explosion In A Periodically Forced Surface Reaction. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2005, 72. PDF (809.11 KB)

Tucci, K. ; Kapral, R. . Mesoscopic Multiparticle Collision Dynamics Of Reaction-Diffusion Fronts. Journal of Physical Chemistry B 2005, 109, 21300-21304. PDF (136.73 KB)

Zhan, M. ; Kapral, R. . Model For Line Defects In Complex-Oscillatory Spiral Waves. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2005, 72. PDF (422.35 KB)

Kapral, R. ; Ciccotti, G. . Molecular Dynamics: An Account Of Its Evolution. In Theory and Applications of Computational Chemistry: The First Fory Years; Theory and Applications of Computational Chemistry: The First Fory Years; Elsevier, 2005; pp 425-441.

Sergi, A. ; Kapral, R. . Nonadiabatic Chemical Reactions. Computer Physics Communications 2005, 169, 400-403. PDF (100.72 KB)

Kim, H. ; Kapral, R. . Nonadiabatic Quantum-Classical Reaction Rates With Quantum Equilibrium Structure. Journal of Chemical Physics 2005, 123. PDF (160.83 KB)

Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Nonadiabatic Proton Transfer. Journal of Chemical Physics 2005, 122. PDF (173.48 KB)

Kapral, R. ; Sergi, A. . Quantum-Classical Wigner-Liouville Equation. Ukrainian Mathematical Journal 2005, 57, 891-899. PDF (159.22 KB)

Kim, H. ; Kapral, R. . Transport Properties Of Quantum-Classical Systems. Journal of Chemical Physics 2005, 122. PDF (197.31 KB)

Lee, S. H. ; Kapral, R. . Two-Particle Friction In A Mesoscopic Solvent. Journal of Chemical Physics 2005, 122. PDF (189.75 KB)

Lee, S. H. ; Kapral, R. . Friction And Diffusion Of A Brownian Particle In A Mesoscopic Solvent. Journal of Chemical Physics 2004, 121, 11163-11169. PDF (105.07 KB)

Davidsen, J. ; Erichsen, R. ; Kapral, R. ; Chaté, H. . From Ballistic To Brownian Vortex Motion In Complex Oscillatory Media. Physical Review Letters 2004, 93, 018305-1. PDF (468.16 KB)

Tucci, K. ; Kapral, R. . Mesoscopic Model For Diffusion-Influenced Reaction Dynamics. Journal of Chemical Physics 2004, 120, 8262-8270. PDF (137.51 KB)

Sergi, A. ; Kapral, R. . Quantum-Classical Limit Of Quantum Correlation Functions. Journal of Chemical Physics 2004, 121, 7565-7576. PDF (185.98 KB)

Kapral, R. . Simulating Chemical Waves And Patterns. Reviews in Computational Chemistry 2004, 20, 219-247.

Davidsen, J. ; Glass, L. ; Kapral, R. . Topological Constraints On Spiral Wave Dynamics In Spherical Geometries With Inhomogeneous Excitability. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 2004, 70, 6. PDF (393.51 KB)

Davidsen, J. ; Glass, L. ; Kapral, R. . Topological Constraints On Spiral Wave Dynamics In Spherical Geometries With Inhomogeneous Excitability. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2004, 70, 056203-1-056203-6. PDF (393.51 KB)

Davidsen, J. ; Kapral, R. . Defect-Mediated Turbulence In Systems With Local Deterministic Chaos. Physical Review Letters 2003, 91, 583031-583034. PDF (288.11 KB)

Hemming, C. J. ; Kapral, R. . Front Explosions In Three-Dimensional Resonantly-Forced Oscillatory Systems. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2003, 68, 026203/1-026203/8.

Sergi, A. ; Kapral, R. . Nonadiabatic Reaction Rates For Dissipative Quantum-Classical Systems. Journal of Chemical Physics 2003, 119, 12776-12783. PDF (127.51 KB)

Sergi, A. ; Kapral, R. . Quantum-Classical Dynamics Of Nonadiabatic Chemical Reactions. Journal of Chemical Physics 2003, 118, 8566-8575. PDF (155.66 KB)

Davidsen, J. ; Kiss, I. Z. ; Hudson, J. L. ; Kapral, R. . Rapid Convergence Of Time-Averaged Frequency In Phase Synchronized Systems. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2003, 68, 026217/1-026217/6. PDF (105.66 KB)

Sergi, A. ; D. Kernan, M. ; Ciccotti, G. ; Kapral, R. . Simulating Quantum Dynamics In Classical Environments. Theoretical Chemistry Accounts 2003, 110, 49-58. PDF (377.9 KB)

Laria, D. ; Kapral, R. . Electron Solvation In Aqueous Reverse Micelles: Equilibrium Properties. Journal of Chemical Physics 2002, 117, 7712-7718. PDF (165.22 KB)

Shiokawa, K. ; Kapral, R. . Emergence Of Quantum-Classical Dynamics In An Open Quantum Environment. Journal of Chemical Physics 2002, 117, 7852-7863. PDF (176.42 KB)

Hemming, C. ; Kapral, R. . Front Explosion In A Resonantly Forced Complex Ginzburg-Landau System. Physica D: Nonlinear Phenomena 2002, 168, 10-22. PDF (249.53 KB)

Chávez, F. ; Kapral, R. . Oscillatory And Chaotic Dynamics In Compartmentalized Geometries. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2002, 65, 056203/1-056203/9. PDF (475.01 KB)

Chávez, F. ; Kapral, R. . Oscillatory And Chaotic Dynamics In Compartmentalized Geometries. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 2002, 65, 9.

Chávez, F. ; Kapral, R. . Oscillatory And Chaotic Dynamics In Compartmentalized Geometries. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2002, 65, 056203/1-056203/9.

Hemming, C. ; Kapral, R. . Phase Front Dynamics In Inhomogeneously Forced Oscillatory Systems. Physica A: Statistical Mechanics and its Applications 2002, 306, 199-210. PDF (328.61 KB)

Davidsen, J. ; Kapral, R. . Phase Synchronization And Topological Defects In Inhomogeneous Media. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 2002, 66, 4. PDF (161.91 KB)

MacKernan, D. ; Kapral, R. ; Ciccotti, G. . Sequential Short-Time Propagation Of Quantum-Classical Dynamics. Journal of Physics Condensed Matter 2002, 14, 9069-9076. PDF (116.71 KB)

Kernan, D. M. ; Ciccotti, G. ; Kapral, R. . Surface-Hopping Dynamics Of A Spin-Boson System. Journal of Chemical Physics 2002, 116, 2346-2353. PDF (118.21 KB)

Lee, S. H. ; Kapral, R. . Cluster Structure And Dynamics In A Mesoscopic Solvent. Physica A: Statistical Mechanics and its Applications 2001, 298, 56-68. PDF (154.78 KB)

Chávez, F. ; Kapral, R. . Compartmentalized Reaction-Diffusion Systems. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics 2001, 63, 1-9. PDF (520.88 KB)

Kapral, R. . Quantum-Classical Dynamics In A Classical Bath. Journal of Physical Chemistry A 2001, 105, 2885-2889. PDF (270.41 KB)

Chávez, F. ; Kapral, R. ; Rousseau, G. ; Glass, L. . Scroll Waves In Spherical Shell Geometries. Chaos 2001, 11, 757-765. PDF (278.38 KB)

Nielsen, S. ; Kapral, R. ; Ciccotti, G. . Statistical Mechanics Of Quantum-Classical Systems. Journal of Chemical Physics 2001, 115, 5805-5815. PDF (1.12 MB)

Toutounji, M. ; Kapral, R. . Subsystem Dynamics In Mixed Quantum-Classical Systems. Chemical Physics 2001, 268, 79-89. PDF (128.42 KB)

Hemming, C. ; Kapral, R. . Turbulent Fronts In Resonantly Forced Oscillatory Systems. Faraday Discussions 2001, 120, 371-382. PDF (335.67 KB)

Rousseau, G. ; Kapral, R. . Asynchronous Algorithm For Integration Of Reaction-Diffusion Equations For Inhomogeneous Excitable Media. Chaos 2000, 10, 812-825. PDF (624.6 KB)

Molinero, V. ; Laria, D. ; Kapral, R. . Dynamics Of Solvation-Induced Structural Transitions In Mesoscopic Binary Clusters. Physical Review Letters 2000, 84, 455-458. PDF (279.28 KB)

Nielsen, S. ; Kapral, R. ; Ciccotti, G. . Mixed Quantum-Classical Surface Hopping Dynamics. Journal of Chemical Physics 2000, 112, 6543-6553. PDF (298.78 KB)

Nielsen, S. ; Kapral, R. ; Ciccotti, G. . Non-Adiabatic Dynamics In Mixed Quantum-Classical Systems. Journal of Statistical Physics 2000, 101, 225-242. PDF (387.83 KB)

Hemming, C. J. ; Kapral, R. . Resonantly Forced Inhomogeneous Reaction-Diffusion Systems. Chaos 2000, 10, 720-730. PDF (742.46 KB)

Malevanets, A. ; Kapral, R. . Solute Molecular Dynamics In A Mesoscale Solvent. Journal of Chemical Physics 2000, 112, 7260-7269. PDF (241.61 KB)

Goryachev, A. ; Kapral, R. ; Chaté, H. . Synchronization Defect Lines. International Journal of Bifurcation and Chaos in Applied Sciences and Engineering 2000, 10, 1537-1564. PDF (1.03 MB)

Velikanov, M. V. ; Kapral, R. . Fluctuation Effects On Quadratic Autocatalysis Fronts. Journal of Chemical Physics 1999, 110, 109-115.

Consta, S. ; Kapral, R. . Ionization Reactions Of Ion Complexes In Mesoscopic Water Clusters. Journal of Chemical Physics 1999, 111, 10183-10191.

Kapral, R. . Mixed Quantum-Classical Dynamics. Journal of Chemical Physics 1999, 110, 8919-8929.

Velikanov, M. V. ; Kapral, R. . Polymerase Chain Reaction: A Markov Process Approach. Journal of Theoretical Biology 1999, 201, 239-249.

Goryachev, A. ; Kapral, R. . Spiral Waves In Media With Complex-Excitable Dynamics. International Journal of Bifurcation and Chaos in Applied Sciences and Engineering 1999, 9, 2243-2247.

Goryachev, A. ; Chaté, H. ; Kapral, R. . Transitions To Line-Defect Turbulence In Complex Oscillatory Media. Physical Review Letters 1999, 83, 1878-1881.

Rousseau, G. ; Chaté, H. ; Kapral, R. . Coiling And Supercoiling Of Vortex Filaments In Oscillatory Media. Physical Review Letters 1998, 80, 5671-5674.

Nielsen, S. ; Kapral, R. . Coloring A Lorentz Gas. Journal of Chemical Physics 1998, 109, 6460-6468.

Malevanets, A. ; Kapral, R. . Continuous-Velocity Lattice-Gas Model For Fluid Flow. Europhysics Letters 1998, 44, 552-558.

Molinero, V. ; Laria, D. ; Kapral, R. . Mixing And Segregation In Binary Polar-Molecule Clusters. Journal of Chemical Physics 1998, 109, 6844-6853.

Velikanov, M. V. ; Kapral, R. . Perturbation Theory For The Breakdown Of Mean-Field Kinetics In Oscillatory Reaction-Diffusion Systems. Journal of Chemical Physics 1998, 109, 281-293.

Goryachev, A. ; Chaté, H. ; Kapral, R. . Synchronization Defects And Broken Symmetry In Spiral Waves. Physical Review Letters 1998, 80, 873-876.

Kapral, R. ; Consta, S. ; Laria, D. . 1996 Polanyi Award Lecture Proton Reactions In Clusters. Canadian Journal of Chemistry 1997, 75, 1-8.

Kapral, R. ; Livi, R. ; Politi, A. . Critical Behavior Of Complex Interfaces. Physical Review Letters 1997, 79, 2277-2280.

Fraser, S. J. ; Kapral, R. . Dichotomously Switched Phase Flows. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 1997, 56, 2582-2591.

Kapral, R. ; Schimansky-Geier, L. ; Poschel, T. . Markov Chain Models For Spatially-Distributed Reacting Systems. In Stochastic Dynamics; Stochastic Dynamics; Springer: New York, 1997; pp 294-305.

Malevanets, A. ; Kapral, R. . Microscopic Model For Fitzhugh-Nagumo Dynamics. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 1997, 55, 5657-5670.

Goryachev, A. ; Strizhak, P. ; Kapral, R. . Slow Manifold Structure And The Emergence Of Mixed-Mode Oscillations. Journal of Chemical Physics 1997, 107, 2881-2889.

Kapral, R. ; Wu, X. - G. . Spatiotemporal Dynamics Of Mesoscopic Chaotic Systems. Physica D: Nonlinear Phenomena 1997, 103, 314-329.

Consta, S. ; Kapral, R. . Dynamics Of Proton Transfer In Mesoscopic Clusters. Journal of Chemical Physics 1996, 104, 4581-4590.

Diemer, K. ; Lawniczak, A. ; Kapral, R. ; Lawniczak, A. ; Kapral, R. . Fluctuations And Chemical Waves In A Bistable Reacting System. In Pattern Formation and Lattice Gas Automata; Pattern Formation and Lattice Gas Automata; American Mathematical Society: Providence, RI, 1996; pp 79-97.

Boon, J. P. ; David, D. ; Kapral, R. ; Lawniczak, A. . Lattice Gas Automata For Reactive Systems. Physics Report 1996, 273, 55-147.

Wu, X. - G. ; Kapral, R. ; Lawniczak, A. ; Kapral, R. . Lattice-Gas Cellular Automaton Model For One-Mode Lasers. In Pattern Formation and Lattice Gas Automata; Pattern Formation and Lattice Gas Automata; American Mathematical Society: Providence, RI, 1996; Vol. 6, pp 249-260.

Malevanets, A. ; Kapral, R. . Links, Knots, And Knotted Labyrinths In Bistable Systems. Physical Review Letters 1996, 77, 767-770.

Laria, D. ; Kapral, R. ; Estrin, D. ; Ciccotti, G. . Molecular Dynamics Study Of Solvation Effects On Acid Dissociation In Aprotic Media. Journal of Chemical Physics 1996, 104, 6560-6568.

Lawniczak, A. T. ; Kapral, R. . Pattern Formation And Lattice Gas Automata; Fields Institute communications; American Mathematical Society, 1996.

Goryachev, A. ; Kapral, R. . Spiral Waves In Chaotic Systems. Physical Review Letters 1996, 76, 1619-1622.

Kapral, R. ; Wu, X. - G. . Stochastic Description Of Temporal And Spatial Dynamics Of Far-From-Equilibrium Reactions. Journal of Physical Chemistry 1996, 100, 18976-18985.

Goryachev, A. ; Kapral, R. . Structure Of Complex-Periodic And Chaotic Media With Spiral Waves. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics 1996, 54, 5469-5481.

Danielak, R. ; Perera, A. ; Moreau, M. ; Frankowicz, M. ; Kapral, R. . Surface Structure And Catalytic Co Oxidation Oscillations. Physica A: Statistical Mechanics and its Applications 1996, 229, 428-443.

Voroney, J. - P. ; Lawniczak, A. T. ; Kapral, R. . Turing Pattern Formation In Heterogeneous Media. Physica D: Nonlinear Phenomena 1996, 99, 303-317.

Malevanets, A. ; Careta, A. ; Kapral, R. . Biscale Chaos In Propagating Fronts. Physical Review E 1995, 52, 4724-4735.

Kapral, R. ; Showalter, K. . Chemical Waves And Patterns; Understanding Chemical Reactivity; Springer Netherlands, 1995.

Puri, S. ; Desai, R. C. ; Kapral, R. . Collision Dynamics Of Fronts In The Korteweg-De Vries-Burgers Equation. Physica D: Nonlinear Phenomena 1995, 89, 15-27.

Kapral, R. ; Wu, X. - G. ; Kapral, R. ; Showalter, K. . Internal Noise, Oscillations, Chaos And Chemical Waves. In Chemical Waves and Patterns; Chemical Waves and Patterns; Kluwer: Dordrecht, 1995; pp 609-634.

Kapral, R. . Noise-Induced Transitions And Chemical Rate Laws. In New Trends in Kramers' Reaction Rate Theory; New Trends in Kramers' Reaction Rate Theory; Kluwer: Dordrecht, 1995; pp 107-141.

Kapral, R. . Pattern Formation In Chemical Systems. Physica D: Nonlinear Phenomena 1995, 86, 149-157.

Fraser, S. J. ; Kapral, R. ; Novak, M. M. . Transition Processes On Noise-Induced Fractal Sets. In Fractal Reviews in the Natural and Applied Scienced; Fractal Reviews in the Natural and Applied Scienced; Chapman and Hall: New York, 1995; pp 279-291.

Laria, D. ; Ciccotti, G. ; Ferrario, M. ; Kapral, R. . Activation Free Energy For Proton Transfer In Solution. Chemical Physics 1994, 180, 181-189.

Fraser, S. J. ; Kapral, R. . Anomalous Relaxation In Noise-Driven Bistable Systems. Fractals 1994, 2, 1-5.

Kapral, R. ; Livi, R. ; Oppo, G. - L. ; Politi, A. . Dynamics Of Complex Interfaces. Physical Review E 1994, 49, 2009-2022.

Wu, X. - G. ; Kapral, R. . Effects Of Molecular Fluctuations On Chemical Oscillations And Chaos. The Journal of Chemical Physics 1994, 100, 5936-5948.

S. Dawson, P. ; Lawniczak, A. ; Kapral, R. . Interaction Of Turing And Flow-Induced Chemical Instabilities. The Journal of Chemical Physics 1994, 100, 5211-5218.

Wu, X. - G. ; Kapral, R. . Internal Fluctuations, Period Doubling, And Chemical Chaos. Physical Review E 1994, 50, 3560-3568.

Clarke, A. S. ; Kapral, R. ; Moore, B. ; Patey, G. ; Wu, X. - G. ; Jortner, J. ; Levine, R. ; Pullman, B. . Phase Separation In Binary Clusters. In Reaction Dynamics in Clusters and Condensed Phases; Reaction Dynamics in Clusters and Condensed Phases; Kluwer: Dordrecht, 1994; pp 89-100.

Consta, S. ; Kapral, R. . Proton Transfer In Mesoscopic, Molecular Clusters. The Journal of Chemical Physics 1994, 101, 10908-10914.

Ferrario, M. ; Laria, D. ; Ciccotti, G. ; Kapral, R. . Quantum Effects On The Solvent Contribution To The Activation Free Energy. Journal of Molecular Liquids 1994, 61, 37-47.

Cosenza, M. G. ; Kapral, R. . Spatiotemporal Intermittency On Fractal Lattices. Chaos 1994, 4, 99-104.

Clarke, A. S. ; Kapral, R. ; Patey, G. N. . Structure Of Two-Component Clusters. The Journal of Chemical Physics 1994, 101, 2432-2445.

Kapral, R. ; WU, X. ‐G. . Chemical Chaos And Internal Noise. Annals of the New York Academy of Sciences 1993, 706, 186-195.

Kapral, R. ; Fraser, S. J. . Dynamics Of Oscillators With Periodic Dichotomous Noise. Journal of Statistical Physics 1993, 70, 61-76.

Wu, X. - G. ; Kapral, R. . Internal Fluctuations And Deterministic Chemical Chaos. Physical Review Letters 1993, 70, 1940-1943.

Hasslacher, B. ; Kapral, R. ; Lawniczak, A. . Molecular Turing Structures In The Biochemistry Of The Cell. Chaos 1993, 3, 7-13.

Gruner, D. ; Kapral, R. ; Lawniczak, A. . Nucleation, Domain Growth, And Fluctuations In A Bistable Chemical System. The Journal of Chemical Physics 1993, 99, 3938-3945.

Clarke, A. S. ; Kapral, R. ; Moore, B. ; Wu, X. - G. . Structure And Dynamics Of Binary Clusters. Physical Review Letters 1993, 70, 3283-3286.

Politic, A. ; Livi, R. ; Oppo, G. - L. ; Kapral, R. . Unpredictable Behaviour In Stable Systems. EPL 1993, 22, 571-576.

Porrà, J. M. ; Masoliver, J. ; Lindenberg, K. ; Le Heureux, I. ; Kapral, R. . Bistability Driven By Dichotomous Noise: A Comment. Physical Review A 1992, 45, 6092-6094.

Wu, X. - G. ; Kapral, R. . Catalytic Co Oxidation On Pt Surfaces: A Lattice-Gas Cellular Automaton Model. Physica A: Statistical Mechanics and its Applications 1992, 188, 284-301.

Cosenza, M. G. ; Kapral, R. . Coupled Maps And Pattern Formation On The Sierpinski Gasket. Chaos 1992, 2, 329-935.

Cosenza, M. G. ; Kapral, R. . Coupled Maps On Fractal Lattices. Physical Review A 1992, 46, 1850-1858.

Laria, D. ; Ciccotti, G. ; Ferrario, M. ; Kapral, R. . Molecular-Dynamics Study Of Adiabatic Proton-Transfer Reactions In Solution. The Journal of Chemical Physics 1992, 97, 378-388.

Fraser, S. J. ; Kapral, R. . Periodic Dichotomous-Noise-Induced Transitions And Stochastic Coherence. Physical Review A 1992, 45, 3412-3424.

Kapral, R. ; Lawniczak, A. ; Masiar, P. . Reactive Dynamics In A Multispecies Lattice-Gas Automaton. The Journal of Chemical Physics 1992, 96, 2762-2776.

Gaveau, B. ; Gudowska-Nowak, E. ; Kapral, R. ; Moreau, M. . Stochastic Transitions Between A Limit Cycle And A Fixed Point. Physica A: Statistical Mechanics and its Applications 1992, 188, 443-451.

Gaveau, B. ; Gudowska-Nowak, E. ; Kapral, R. ; Moreau, M. . Transition Rates In A Stochastic Medium. Physical Review A 1992, 46, 825-836.

Paci, E. ; Ciccotti, G. ; Ferrario, M. ; Kapral, R. . Activation Energies By Molecular Dynamics With Constraints. Chemical Physics Letters 1991, 176, 581-587.

Wu, X. - G. ; Kapral, R. . Chemical Turbulence And Phase Resetting Dynamics. The Journal of Chemical Physics 1991, 94, 1411-1419.

Puri, S. ; Desai, R. C. ; Kapral, R. . Coupled Map Model With A Conserved Order Parameter. Physica D: Nonlinear Phenomena 1991, 50, 207-230.

Kapral, R. . Discrete Models For Chemically Reacting Systems. Journal of Mathematical Chemistry 1991, 6, 113-163.

Kapral, R. ; Lawniczak, A. ; Masiar, P. . Oscillations And Waves In A Reactive Lattice-Gas Automaton. Physical Review Letters 1991, 66, 2539-2542.

Wu, X. - G. ; L'Heureux, I. ; Kapral, R. . Projected Dynamics For Bgk Reaction Kinetics. Chemical Physics Letters 1991, 176, 242-248.

Lawniczak, A. ; Dab, D. ; Kapral, R. ; Boon, J. - P. . Reactive Lattice Gas Automata. Physica D: Nonlinear Phenomena 1991, 47, 132-158.

Wu, X. - G. ; Chee, M. - N. ; Kapral, R. . Vortex Dynamics In Oscillatory Chemical Systems. Chaos 1991, 1, 421-434.

Dab, D. ; Lawniczak, A. ; Boon, J. - P. ; Kapral, R. . Cellular-Automaton Model For Reactive Systems. Physical Review Letters 1990, 64, 2462-2465.

Ciccotti, G. ; Ferrario, M. ; Hynes, J. T. ; Kapral, R. . Dynamics Of Ion Pair Interconversion In A Polar Solvent. The Journal of Chemical Physics 1990, 93, 7137-7147.

Chee, M. - N. ; Kapral, R. ; Whittington, S. G. . Inhomogeneous Perturbations And Phase Resetting In An Oscillatory Reaction-Diffusion System. The Journal of Chemical Physics 1990, 92, 7302-7314.

Irwin, A. J. ; Fraser, S. J. ; Kapral, R. . Irwin, Fraser, And Kapral Reply. Physical Review Letters 1990, 65, 3358.

Chee, M. - N. ; Kapral, R. ; Whittington, S. G. . Phase Resetting Dynamics For A Discrete Reaction-Diffusion Model. The Journal of Chemical Physics 1990, 92, 7315-7322.

Irwin, A. J. ; Fraser, S. J. ; Kapral, R. . Stochastically Induced Coherence In Bistable Systems. Physical Review Letters 1990, 64, 2343-2346.

Ciccotti, G. ; Ferrario, M. ; Hynes, J. T. ; Kapral, R. . Constrained Molecular Dynamics And The Mean Potential For An Ion Pair In A Polar Solvent. Chemical Physics 1989, 129, 241-251.

Carter, E. A. ; Ciccotti, G. ; Hynes, J. T. ; Kapral, R. . Constrained Reaction Coordinate Dynamics For The Simulation Of Rare Events. Chemical Physics Letters 1989, 156, 472-477.

L'Heureux, I. ; Kapral, R. . Direct Simulation Of Dichotomous Noise-Induced Transitions In A Bistable System. The Journal of Chemical Physics 1989, 90, 2453-2459.

L'Heureux, I. ; Kapral, R. ; Bar-Eli, K. . Noise-Induced Transitions In An Excitable System. The Journal of Chemical Physics 1989, 91, 4285-4298.

Weinberg, M. ; Kapral, R. . Phase Transformation Kinetics In Finite Inhomogeneously Nucleated Systems. The Journal of Chemical Physics 1989, 91, 7146-7152.

Wu, X. - G. ; Kapral, R. . Projected Dynamics: Analysis Of A Chemical Reaction Model. The Journal of Chemical Physics 1989, 91, 5528-5543.

Baratham, S. ; L'Heureux, I. ; Kapral, R. . Reactive Dynamics In A Deterministic Thermal Bath. The Journal of Chemical Physics 1989, 91, 5602-5612.

Gaveau, B. ; Hynes, J. T. ; Kapral, R. ; Moreau, M. . A Stochastic Theory Of Chemical Reaction Rates. I. Formalism. Journal of Statistical Physics 1989, 56, 879-893.

Gaveau, B. ; Hynes, J. T. ; Kapral, R. ; Moreau, M. . A Stochastic Theory Of Chemical Reaction Rates. Ii. Applications. Journal of Statistical Physics 1989, 56, 895-910.

L'Heureux, I. ; Kapral, R. . White Noise Induced Transitions Between A Limit Cycle And A Fixed Point. Physics Letters A 1989, 136, 472-476.

Chee, M. - N. ; Whittington, S. G. ; Kapral, R. . A Model Of Wave Propagation In An Inhomogeneous Excitable Meduim. Physica D: Nonlinear Phenomena 1988, 32, 437-450.

L'Heureux, I. ; Kapral, R. . Transition Rates In A Bistable System Driven By External Dichotomous Noise. The Journal of Chemical Physics 1988, 88, 7468-7477.

Celarier, E. A. ; Kapral, R. . Bistable Limit Cycle Oscillations In Chemical Systems. I. Basins Of Attraction. The Journal of Chemical Physics 1987, 86, 3357-3365.

Celarier, E. ; Kapral, R. . Bistable Limit Cycle Oscillations In Chemical Systems. Ii. Mechanisms For Noise-Induced Transitions. The Journal of Chemical Physics 1987, 86, 3366-3372.

Oppo, G. - L. ; Kapral, R. . Domain Growth And Nucleation In A Discrete Bistable System. Physical Review A 1987, 36, 5820-5831.

Kapral, R. ; Oppo, G. - L. ; Brown, D. B. . Phase Separation And Growth In A Two-Variable Discrete Model. Physica A: Statistical Mechanics and its Applications 1987, 147, 77-89.

Kapral, R. ; Whittington, S. G. ; Desai, C. . Aggregation At A Surface: Crossover Behaviour In A Biased Diffusion Model. Journal of Physics A: Mathematical and General 1986, 19, 1727-1734.

Nardone, P. ; Mandel, P. ; Kapral, R. . Analysis Of A Delay-Differential Equation In Optical Bistability. Physical Review A 1986, 33, 2465-2471.

Kapral, R. ; Oppo, G. - L. . Competition Between Stable States In Spatially-Distributed Systems. Physica D: Nonlinear Phenomena 1986, 23, 455-463.

Oppo, G. - L. ; Kapral, R. . Discrete Models For The Formation And Evolution Of Spatial Structure In Dissipative Systems. Physical Review A 1986, 33, 4219-4231.

Kapral, R. ; Celarier, E. ; Mandel, P. ; Nardone, P. . Noisy Delay-Differential Equations In Optical Bistability. Proceedings of SPIE - The International Society for Optical Engineering 1986, 667, 175-182.

Fraser, S. ; Kapral, R. . Ring Dynamics And Percolation In An Excitable Medium. The Journal of Chemical Physics 1986, 85, 5682-5688.

Kapral, R. ; Mandel, P. . Bifurcation Structure Of The Nonautonomous Quadratic Map. Physical Review A 1985, 32, 1076-1081.

Fraser, S. ; Kapral, R. . Mass And Dimension Of Feigenbaum Attractors. Physical Review A 1985, 31, 1687-1694.

Kapral, R. . Pattern Formation In Two-Dimensional Arrays Of Coupled, Discrete-Time Oscillators. Physical Review A 1985, 31, 3868-3879.

Elskens, Y. ; Kapral, R. . Reversible Dynamics And The Macroscopic Rate Law For A Solvable Kolmogorov System: The Three Bakers' Reaction. Journal of Statistical Physics 1985, 38, 1027-1049.

Gaspard, P. ; Kapral, R. ; Nicolis, G. . Bifurcation Phenomena Near Homoclinic Systems: A Two-Parameter Analysis. Journal of Statistical Physics 1984, 35, 697-727.

Kapral, R. ; Fraser, S. . Bistable Oscillating States In Dissipative Dynamical Systems: Scaling Properties And One-Dimensional Maps. Journal of Physical Chemistry 1984, 88, 4845-4852.

Waller, I. ; Kapral, R. . Spatial And Temporal Structure In Systems Of Coupled Nonlinear Oscillators. Physical Review A 1984, 30, 2047-2055.

Waller, I. ; Kapral, R. . Synchronization And Chaos In Coupled Nonlinear Oscillators. Physics Letters A 1984, 105, 163-168.

Fraser, S. ; Kapral, R. . Universal Vector Scaling In One-Dimensional Maps. Physical Review A 1984, 30, 1017-1025.

Bedeaux, D. ; Kapral, R. . The Effective Reaction Rate And Diffusion Coefficients For A Two-Phase Medium. The Journal of Chemical Physics 1983, 79, 1783-1788.

Celarier, E. A. ; Fraser, S. ; Kapral, R. . A One-Dimensional-Map Model For Noise-Induced Transitions Between Bistable States. Physics Letters A 1983, 94, 247-250.

Fraser, S. ; Celarier, E. ; Kapral, R. . Stochastic Dynamics Of The Cubic Map: A Study Of Noise-Induced Transition Phenomena. Journal of Statistical Physics 1983, 33, 341-370.

Mandel, P. ; Kapral, R. . Subharmonic And Chaotic Bifurcation Structure In Optical Bistability. Optics Communications 1983, 47, 151-156.

Schell, M. ; Fraser, S. ; Kapral, R. . Subharmonic Bifurcation In The Sine Map: An Infinite Hierarchy Of Cusp Bistabilities. Physical Review A 1983, 28, 373-378.

Fraser, S. ; Kapral, R. . Analysis Of Flow Hysteresis By A One-Dimensional Map. Physical Review A 1982, 25, 3223-3233.

Fraser, S. ; Kapral, R. . Behavior Of The Liapunov Number Near Period Three. Physical Review A 1982, 25, 2827-2829.

Kapral, R. ; Schell, M. ; Fraser, S. . Chaos And Fluctuations In Nonlinear Dissipative Systems. Journal of Physical Chemistry 1982, 86, 2205-2217.

Schell, M. ; Fraser, S. ; Kapral, R. . Diffusive Dynamics In Systems With Translational Symmetry: A One-Dimensional-Map Model. Physical Review A 1982, 26, 504-521.

Lebenhaft, J. R. ; Kapral, R. . Kinetic Energy Relaxation Of A Brownian Particle. Chemical Physics Letters 1982, 85, 103-106.

Schell, M. ; Kapral, R. . Comparison Of Stochastic Models For Condensed-Phase Atomic Recombination Reactions. Chemical Physics Letters 1981, 81, 83-86.

Schell, M. ; Kapral, R. . Diffusion-Influenced Reactions And Normal Solutions Of The Boltzmann Equation. The Journal of Chemical Physics 1981, 75, 915-920.

Kapral, R. . Kinetic Theory Of Chemical Reactions In Liquids. In Advances in Chemical Physics; Advances in Chemical Physics; John Wiley & Sons, Ltd, 1981; Vol. 48, pp 71-181.

Cukier, R. I. ; Kapral, R. ; Mehaffey, J. R. . Kinetic Theory Of The Hydrodynamic Interaction Between Two Particles. The Journal of Chemical Physics 1981, 74, 2494-2504.

Schell, M. ; Kapral, R. ; Cukier, R. I. . Recombination Kinetics: Langevin Dynamics With A Space Dependent Friction Coefficient. The Journal of Chemical Physics 1981, 75, 5879-5882.

Fraser, S. ; Kapral, R. . Resonance Model For Chaos Near Period Three. Physical Review A 1981, 23, 3303-3315.

Lebenhaft, J. R. ; Kapral, R. . Translational And Rotational Friction In A Rough Sphere Fluid. The Journal of Chemical Physics 1981, 74, 6888-6895.

Cukier, R. I. ; Kapral, R. ; Mehaffey, J. R. . Effect Of Static Correlations On The Pair Friction Coefficient. The Journal of Chemical Physics 1980, 73, 5254-5258.

Cukier, R. I. ; Kapral, R. ; Lebenhaft, J. R. ; Mehaffey, J. R. . On The Microscopic Origin Of Stokes' Law. The Journal of Chemical Physics 1980, 73, 5244-5253.

Cukier, R. I. ; Kapral, R. ; Mehaffey, J. R. ; Shin, K. J. . Microscopic Theory Of Condensed Phase Chemical Reactions. I. Pair Phase Space Kinetic Equation. The Journal of Chemical Physics 1980, 72, 1830-1843.

Cukier, R. I. ; Kapral, R. ; Mehaffey, J. R. ; Shin, K. J. . Microscopic Theory Of Condensed Phase Chemical Reactions. Ii. Configuration Space Equations. The Journal of Chemical Physics 1980, 72, 1844-1850.

Hynes, J. T. ; Kapral, R. ; Torrie, G. M. . Stochastic Trajectory Simulation Of Iodine Recombination In Liquids. The Journal of Chemical Physics 1980, 72, 177-188.

Lebenhaft, J. R. ; Kapral, R. . Diffusion-Controlled Processes Among Partially Absorbing Stationary Sinks. Journal of Statistical Physics 1979, 20, 25-56.

Kapral, R. ; Shin, K. J. . Generalized Langevin Equation Approach To Reaction Dynamics In Liquids. The Journal of Chemical Physics 1979, 70, 5623-5634.

Pagitsas, M. ; Hynes, J. T. ; Kapral, R. . Kinetic Energy Relaxation Of A Test Particle In A Dense Fluid. The Journal of Chemical Physics 1979, 71, 4492-4501.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Molecular Theory Of Translational Diffusion: Microscopic Generalization Of The Normal Velocity Boundary Condition. The Journal of Chemical Physics 1979, 70, 1456-1466.

Kapral, R. ; Bedeaux, D. . The Effective Shear Viscosity Of A Regular Array Of Suspended Spheres. Physica A: Statistical Mechanics and its Applications 1978, 91, 590-602.

Cukier, R. I. ; Mehaffey, J. R. ; Kapral, R. . Kinetic Theory Derivation Of A Pair Configuration Space Diffusion Equation. The Journal of Chemical Physics 1978, 69, 4962-4975.

Pagitsas, M. ; Kapral, R. . Kinetic Theory Of Chemical Reactions In Liquids. Ii. Spatial Nonequilibrium Effects For A Reversible Reaction. The Journal of Chemical Physics 1978, 69, 2811-2822.

Shin, K. J. ; Kapral, R. . Kinetic Theory Of Reactive Pair Dynamics In Liquids. The Journal of Chemical Physics 1978, 69, 3685-3696.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Molecular Rotation And Reorientation: Microscopic And Hydrodynamic Contributions. The Journal of Chemical Physics 1978, 69, 2725-2733.

Desai, R. C. ; Kapral, R. . Self-Diffusion In A Lennard-Jones Fluid. Physical Review A 1978, 17, 477-479.

Mehaffey, J. R. ; Desai, R. C. ; Kapral, R. . Dynamical Correlations In Rough Sphere Fluids. Chemical Physics Letters 1977, 45, 322-325.

Bedeaux, D. ; Kapral, R. ; Mazur, P. . The Effective Shear Viscosity Of A Uniform Suspension Of Spheres. Physica A: Statistical Mechanics and its Applications 1977, 88, 88-121.

Kapral, R. . Kinetic Theory Of Chemical Reactions In Dense Fluids. The Journal of Chemical Physics 1977, 68, 1903-1912.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Microscopic Boundary Layer Effects And Rough Sphere Rotation. The Journal of Chemical Physics 1977, 67, 3256-3267.

Ng, D. ; Kapral, R. ; Whittington, S. G. . A Microscopic Treatment Of The Friction Tensor Of A Polymer In Dilute Solution. Journal of Physics A: General Physics 1977, 10, 2171-2179.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Particle Rotation And Translation In A Fluid With Spin. Physica A: Statistical Mechanics and its Applications 1977, 87, 427-452.

Kapral, R. ; Desai, R. C. . Rotational Correlations In Rough Sphere Fluids. The Journal of Chemical Physics 1977, 67, 5645-5654.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Slip Boundary Condition And Rough Sphere Angular Velocity Correlations. Chemical Physics Letters 1977, 47, 575-577.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Slip Boundary Condition For Rough Sphere Rotation. Chemical Physics Letters 1977, 46, 463-466.

Garisto, F. ; Kapral, R. . Extended Calculations Of The Anomalous Rayleigh Linewidth And Shear Viscosity. The Journal of Chemical Physics 1976, 64, 3826-3832.

Mehaffey, J. R. ; Desai, R. C. ; Kapral, R. . Kinetic Theory Of Rough Sphere Fluids: Linear And Angular Velocity Correlation Functions. The Journal of Chemical Physics 1976, 66, 1665-1679.

Garisto, F. ; Kapral, R. . Long-Time Behavior Of The Angular-Velocity Correlation Function. Physical Review A 1976, 13, 1652-1653.

Kapral, R. ; Ng, D. ; Whittington, S. G. . Mode Coupling Description Of Dynamics In Dilute Polymer Solutions. The Journal of Chemical Physics 1976, 64, 539-545.

Duzy, C. ; Kapral, R. . Polymer Dynamics In A Binary Critical Mixture. The Journal of Chemical Physics 1976, 66, 2887-2892.

Garisto, F. ; Kapral, R. . Vertex Corrections To The Shear Viscosity Critical Exponent. Physical Review A 1976, 14, 884-885.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Microscopic Theory Of Brownian Motion. Ii. Nonlinear Langevin Equations. Physica A: Statistical Mechanics and its Applications 1975, 81, 485-508.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Microscopic Theory Of Brownian Motion. Iii. The Nonlinear Fokker-Planck Equation. Physica A: Statistical Mechanics and its Applications 1975, 81, 509-521.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Microscopic Theory Of Brownian Motion: Mori Friction Kernel And Langevin-Equation Derivation. Physica A: Statistical Mechanics and its Applications 1975, 80, 105-127.

Garisto, F. ; Kapral, R. . Multimode Contributions To The Anomalous Shear Viscosity. The Journal of Chemical Physics 1975, 63, 3560-3566.

Hynes, J. T. ; Kapral, R. ; Weinberg, M. . Nonlinear Momentum Relaxation Of An Impurity In A Harmonic Chain. Journal of Statistical Physics 1975, 13, 427-449.

Garisto, F. ; Kapral, R. . Asymptotic Behavior Of Orientation And Angular-Velocity Correlation Functions For A Fluid Of Linear Molecules. Physical Review A 1974, 10, 309-318.

Kapral, R. . Chemical Relaxation In A Radiation Field. The Journal of Chemical Physics 1974, 61, 1723-1729.

Kapral, R. ; Weinberg, M. . Nonlinear Effects In Diffusion Processes. Physical Review A 1974, 9, 1676-1687.

Jr., C. W. Wilson; Kapral, R. ; Burns, G. . Potential Energy Surface For The Hydrogen Molecule-Helium System. Chemical Physics Letters 1974, 24, 488-491.

Kapral, R. ; Desai, R. C. . Translational Hydrodynamics For Binary Mixtures: Memory From Internal Molecular Relaxation. Chemical Physics 1974, 3, 141-163.

Garisto, F. ; Kapral, R. . Concentration Fluctuations In Chemically Reacting Fluids. The Journal of Chemical Physics 1973, 3129-3138.

Gelb, A. ; Kapral, R. ; Burns, G. . Dissociation Of Vibrationally-Rotationally Excited I2 (B 3Π0U+ ). The Journal of Chemical Physics 1973, 2980-2985.

Weinberg, M. ; Kapral, R. ; Desai, R. C. . Light-Scattering Experiments And Generalized Transport Coefficients. Physical Review A 1973, 7, 1413-1419.

Mehaffey, J. R. ; Garisto, F. ; Kapral, R. ; Desai, R. C. . Magnetic Field Dependence Of Thermal Correlations In Molecular Gases. The Journal of Chemical Physics 1973, 4084-4091.

Kapral, R. ; Weinberg, M. . Nonlinear Transport Phenomena: Analysis In Terms Of Density Expansions. Physical Review A 1973, 8, 1008-1017.

Kapral, R. . Internal Relaxation In Chemically Reacting Fluids. The Journal of Chemical Physics 1972, 56, 1842-1847.

Gelb, A. ; Kapral, R. ; Burns, G. . Nonequilibrium Effects In Atomic Recombination Reactions. The Journal of Chemical Physics 1972, 56, 4651-4653.

Gelb, A. ; Kapral, R. ; Burns, G. . Nonequilibrium Effects In Atomic Recombination Reactions. The Journal of Chemical Physics 1972, 56, 4654-4658.

Gelb, A. ; C. Wilson, W. ; Kapral, R. ; Burns, G. . Rotational Relaxation In Dilute Gas Mixtures. The Journal of Chemical Physics 1972, 57, 3421-3426.

Gelb, A. ; Kapral, R. . Rotational Relaxation In The Ar-N2 System. Chemical Physics Letters 1972, 17, 397-400.

Desai, R. C. ; Kapral, R. . Translational Hydrodynamics And Light Scattering From Molecular Fluids. Physical Review A 1972, 6, 2377-2390.

Weinberg, M. ; Kapral, R. . Continued-Fraction Description Of Collective Motion In Simple Fluids. Physical Review A 1971, 4, 1127-1135.

Kapral, R. ; Desai, R. C. . Time Correlation Functions For A Molecular Gas: Magnetic Field Effects. Journal of Chemical Physics 1971, 55, 1604-1612.

Weinberg, M. ; Kapral, R. . Light Scattering From Chemically Reacting Fluids: Coupled Chemical Reactions. The Journal of Chemical Physics 1970, 53, 4409-4413.

Kapral, R. ; Hudson, S. ; Ross, J. . Nonequilibrium Kinetics: Explicit Time Dependence Of Perturbed Distribution Functions And Autocorrelation Expressions. The Journal of Chemical Physics 1970, 53, 4387-4393.

Kapral, R. ; Desai, R. C. . Time Correlation Functions In A Binary Gas Mixture. The Journal of Chemical Physics 1970, 53, 3640-3649.

Kapral, R. . Molecular-Orbital Representation Of Repulsive Potential Surfaces: An Analysis Of The Neon Dihydride Wavefunction. The Journal of Chemical Physics 1967, 46, 2317-2323.