Publications

Author Title Type [ Year(Desc)]
Filters: Keyword is Quantum chemistry  [Clear All Filters]
2003
Sergi, A. ; D. Kernan, M. ; Ciccotti, G. ; Kapral, R. . Simulating Quantum Dynamics In Classical Environments. Theoretical Chemistry Accounts 2003, 110, 49-58.PDF icon PDF (377.9 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
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)