Analysis of charge transfer effects in molecular complexes based on absolutely localized molecular orbitals

Journal of Chemical Physics

Volumn 128, Issue 18, 2008, Pages

  Khaliullin, Rustam Z ^a,b   Bell, Alexis T ^a,c   Head Gordon, Martin ^a,b  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c University of California   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CARBOXYLIC ACIDS; CARRIER CONCENTRATION; CHARGE TRANSFER; CHEMICAL BONDS; NUMERICAL METHODS;

BORANE ADDUCTS; CHARGE TRANSFER ANALYSIS (CTA); COMPLEMENTARY OCCUPIED-VIRTUAL ORBITAL PAIRS (COVPS); METAL CARBONYLS; MOLECULAR COMPLEXES;

MOLECULAR ORBITALS;

EID: 43949105515     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2912041     Document Type: Article

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