Time-dependent density functional theory study of cobalt corrinoids:Electronically excited states of methylcobalamin
T. ANDRUNIƃ W
ā€¢
M. JAWORSKA
ā€¢
P. LODOWSKI
altro
P. M. KOZLOWSKI
2008
Periodico
THE JOURNAL OF CHEMICAL PHYSICS
Abstract
Time-dependent density functional theory TDDFT has been applied to the analysis of the electronic spectra of methylcobalamin MeCbl and its derivative in which the trans axial base was replaced by a water molecule MeCbiuH2O.
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