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Volumn 131, Issue 10, 2009, Pages

Time-dependent density functional theory study of cobalt corrinoids: Electronically excited states of coenzyme B12

(7) Andruniów, Tadeusz a,b Jaworska, Maria c Lodowski, Piotr c Zgierski, Marek Z d Dreos, Renata e Randaccio, Lucio e Kozlowski, Pawel M a

a UNIVERSITY OF LOUISVILLE (United States)

b WROCLAW UNIVERSITY OF TECHNOLOGY (Poland)

c UNIVERSITY OF SILESIA (Poland)

d NATIONAL RESEARCH COUNCIL CANADA (Canada)

e UNIVERSITY OF TRIESTE (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ACIDIC CONDITIONS; ADENOSYLCOBALAMIN; ANTIBONDING; BP86 FUNCTIONALS; CHARGE TRANSFER TRANSITIONS; CORRINOIDS; ELECTRONIC EXCITATION; ELECTRONIC SPECTRUM; ELECTRONIC TRANSITION; ENERGY TRANSITIONS; EXPERIMENTAL SPECTRA; FUNCTIONALS; LONG RANGE; LOW ENERGIES; LOWEST UNOCCUPIED MOLECULAR ORBITAL; ORBITAL ENERGY; ORBITAL ORDER; ORBITALS; OSCILLATOR STRENGTHS; PARAMETER SCALING; PH VALUE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; WATER MOLECULE;

ABSORPTION; CHARGE TRANSFER; CHEMICAL BONDS; COBALT; ELECTRIC EXCITATION; ION EXCHANGE; LIGHT ABSORPTION; MOLECULAR ORBITALS; OSCILLATORS (ELECTRONIC); WATER ANALYSIS;

DENSITY FUNCTIONAL THEORY;

EID: 70349269343 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.3190326 Document Type: Article

Times cited : (23)

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