Application of the nuclear-electronic orbital method to hydrogen transfer systems: Multiple centers and multiconfigurational wavefunctions

Chemical Physics

Volumn 304, Issue 1-2, 2004, Pages 227-236

  Pak, Michael V ^a   Swalina, Chet ^a   Webb, Simon P ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN;

ARTICLE; CALCULATION; CHEMICAL MODEL; CHEMICAL REACTION; ELECTRON TRANSPORT; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; NUCLEAR ENERGY; PHASE TRANSITION; QUANTUM CHEMISTRY; QUANTUM MECHANICS;

EID: 4143111600     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.06.009     Document Type: Article

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