Molecular mechanics with QEq-CS (charge equilibration method generalized for charge separation system)

Journal of Molecular Structure: THEOCHEM

Volumn 461-462, Issue , 1999, Pages 239-247

  Kitao, Osamu ^a   Miura, Nobuaki ^a   Ushiyama, Hiroshi ^a  

^a NATL INST OF MAT AND CHEM RES   (Japan)

Author keywords

Crossing point; Koga Morokuma; Molecular mechanics; Photoinduced electron transfer; QEq CS

Indexed keywords

ARTICLE; CHEMICAL REACTION; ELECTRON TRANSPORT; ENERGY EXPENDITURE; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; REACTION ANALYSIS;

EID: 0033515373     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00457-6     Document Type: Article

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