Reliable prediction of charge transfer excitations in molecular complexesusing time-dependent density functional theory

Journal of the American Chemical Society

Volumn 131, Issue 8, 2009, Pages 2818-2820

  Stein, Tamar ^a   Kronik, Leeor ^b   Baer, Roi ^a  

^a HEBREW UNIVERSITY OF JERUSALEM   (Israel)

^b WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC DONORS; CHARGE-TRANSFER EXCITATIONS; EXCELLENT PERFORMANCE; HYBRID FUNCTIONALS; MOLECULAR COMPLEXES; PREDICTIVE POWER; QUANTITATIVE STUDY; REAL SYSTEMS; TETRACYANOETHYLENE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

CHARGE TRANSFER; ION EXCHANGE; MASS TRANSFER;

DENSITY FUNCTIONAL THEORY;

AROMATIC COMPOUND; BENZENE; NAPHTHALENE; ORTHO XYLENE; TETRACYANOETHYLENE; TOLUENE;

ARTICLE; CHARGE TRANSFER EXCITATION; CHEMICAL INTERACTION; COMPLEX FORMATION; CONTROLLED STUDY; DENSITY FUNCTIONAL THEORY; EMPIRICISM; MOLECULAR INTERACTION; PREDICTION; QUANTITATIVE ANALYSIS; RELIABILITY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

EID: 67749120522     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja8087482     Document Type: Article

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