Photodissociation of Co-C bond in methyl- and ethylcobalamin: An insight from td-dft calculations

Journal of Physical Chemistry B

Volumn 113, Issue 19, 2009, Pages 6898-6909

  Lodowski, Piotr ^a   Jaworska, Maria ^a   Andruniów, Tadeusz ^b   Kumar, Manoj ^c   Kozlowski, Pawel M ^c  

^a UNIVERSITY OF SILESIA   (Poland)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^c UNIVERSITY OF LOUISVILLE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRIC EXCITATION; EXCITED STATES; HYDROCARBONS; ION EXCHANGE; LIGANDS; MASS TRANSFER; MODEL STRUCTURES; PHOTOLYSIS; PORPHYRINS; SULFUR COMPOUNDS;

CO-C BOND; DFT CALCULATION; ELECTRON DENSITIES; ELECTRONIC EXCITATION; ETHYLCOBALAMIN; FIRST EXCITED STATE; HIGH RESOLUTION CRYSTAL STRUCTURE; IN-LINE; LOW-LYING SINGLETS; METAL-TO-LIGAND CHARGE TRANSFER STATE; METHYL GROUP; OPTIMIZED GEOMETRIES; SIDE CHAINS; STRUCTURAL CHANGE; STRUCTURAL MODELS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TRIPLET STATE;

PHOTODISSOCIATION;

EID: 67650087807     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp810223h     Document Type: Article

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