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.
Time-dependent density functional theory study of cobalt corrinoids:Electronically excited states of methylcobalamin / T., Andruniów; M., Jaworska; P., Lodowski; M. Z., Zgierski; Dreos, Renata; Randaccio, Lucio; P. M., Kozlowski. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 129:(2008), pp. 5101-5114. [10.1063/1.2956836]
Time-dependent density functional theory study of cobalt corrinoids:Electronically excited states of methylcobalamin
DREOS, RENATA;RANDACCIO, LUCIO;
2008-01-01
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.File in questo prodotto:
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