Publications

Author Title Type [ Year(Asc)]
Filters: Keyword is Protons  [Clear All Filters]
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)
2006
Kim, H. ; Hanna, G. ; Kapral, R. . Analysis Of Kinetic Isotope Effects For Nonadiabatic Reactions. Journal of Chemical Physics 2006, 125.PDF icon PDF (164.27 KB)
Hanna, G. ; Kapral, R. . Nonadiabatic Dynamics Of Condensed Phase Rate Processes. Accounts of Chemical Research 2006, 39, 21-27.PDF icon mqc-accounts06.pdf (149.81 KB)
2005
Sergi, A. ; Kapral, R. . Nonadiabatic Chemical Reactions. Computer Physics Communications 2005, 169, 400-403.PDF icon PDF (100.72 KB)
Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Nonadiabatic Proton Transfer. Journal of Chemical Physics 2005, 122.PDF icon PDF (173.48 KB)
1997
Kapral, R. ; Consta, S. ; Laria, D. . 1996 Polanyi Award Lecture Proton Reactions In Clusters. Canadian Journal of Chemistry 1997, 75, 1-8.
1994
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.