An ab initio study of specific solvent effects on the electronic coupling element in electron transfer reactions

Journal of Chemical Physics

Volumn 109, Issue 17, 1998, Pages 7414-7423

  Henderson, Thomas M ^a   Cave, Robert J ^a  

^a HARVEY MUDD COLLEGE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; CALCULATIONS; ELECTRON ENERGY LEVELS; ELECTRONS; HELIUM; LITHIUM; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; QUANTUM THEORY; SOLVENTS; WATER; ZINC;

AB INITIO QUANTUM CHEMICAL STUDY; COMPLETE ACTIVE SPACE SELF CONSISTENT FIELD; ELECTRON AFFINITY; ELECTRON TRANSFER; ELECTRONIC COUPLING ELEMENT; ELECTRONIC WAVE FUNCTION; GENERALIZED MULLIKEN-HUSH APPROACH; IONIZATION POTENTIAL; SOLVENT EFFECT;

CHARGE TRANSFER;

EID: 0032209422     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.477403     Document Type: Article

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