Reduced electronic spaces for modeling donor/acceptor interactions

Journal of Physical Chemistry B

Volumn 114, Issue 45, 2010, Pages 14631-14641

  Cave, Robert J ^a   Edwards, Stephen T ^a,c   Kouzelos, J Andrew ^a,d   Newton, Marshall D ^b  

^a HARVEY MUDD COLLEGE   (United States)

^b BROOKHAVEN NATIONAL LABORATORY   (United States)

^c YALE UNIVERSITY   (United States)

^d MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

HAMILTONIANS;

ADIABATIC STATE; ARBITRARY STATE; CLASS II; COUPLING ELEMENT; DIABATIC STATE; EFFECTIVE COUPLING; EIGENSTATES; ELECTRON TRANSFER; KOHN-SHAM ORBITALS; MIXED VALENCE; NUCLEAR CONFIGURATION; ORBITAL ENERGY; ORBITAL SPACE; RMS DEVIATIONS; RU COMPLEXES; SEPARATION DISTANCES; STATE SPACE; SUPEREXCHANGES;

COMPLEXATION;

EID: 79959741881     PISSN: 15206106     EISSN: 15205207     Source Type: Journal    
DOI: 10.1021/jp102353q     Document Type: Article

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