Molecular dynamics with quantum transitions for proton transfer: Quantum treatment of hydrogen and donor-acceptor motions

Journal of Chemical Physics

Volumn 119, Issue 8, 2003, Pages 4389-4398

  Kim, Soo Young ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; COMPOSITION EFFECTS; COMPUTER SIMULATION; ELECTRON TRANSITIONS; HYDROGEN; ISOTOPES; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS; PROTONS; QUANTUM THEORY; RATE CONSTANTS; SURFACE TREATMENT;

DONOR-ACCEPTOR MOTIONS; HYDRIDE TRANSFER REACTIONS; PROTON TRANSFER; QUANTUM TRANSTITIONS; QUANTUM TREATMENT;

MOLECULAR DYNAMICS;

EID: 0042381328     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1592509     Document Type: Article

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