Publications

Author Title Type [ Year(Desc)]
Filters: Keyword is Reaction rates  [Clear All Filters]
2007
Kim, H. ; Kapral, R. . Quantum Equilibrium Structure For Strong Nonadiabatic Coupling: Reaction Rate Enhancement. Chemical Physics Letters 2007, 440, 215-220.PDF icon 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 icon PDF (88.21 KB)
2008
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 icon PDF (390.64 KB)
2009
Alonso, S. ; Bär, M. ; Kapral, R. . Effective Medium Approach For Heterogeneous Reaction-Diffusion Media. Journal of Chemical Physics 2009, 131.PDF icon 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 icon 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.PDF icon mqc_mapping-correl-cjc-09.pdf (202.83 KB)
2011
Thakur, S. ; Kapral, R. . Dynamics Of Self-Propelled Nanomotors In Chemically Active Media. Journal of Chemical Physics 2011, 135.PDF icon meso_nanomotor-active-media-jcp-2011.pdf (468.9 KB)
2018
Huang, M. - J. ; Schofield, J. ; Gaspard, P. ; Kapral, R. . Dynamics Of Janus Motors With Microscopically Reversible Kinetics. Journal of Chemical Physics 2018, 149.PDF icon PDF (817.81 KB)