A comparative study of semiempirical, ab initio, and DFT methods in evaluating metal-ligand bond strength, proton affinity, and interactions between first and second shell ligands in Zn-biomimetic complexes

A comparative study of semiempirical, ab initio, and DFT methods in evaluating metal-ligand bond strength, proton affinity, and interactions between first and second shell ligands in Zn-biomimetic complexes

(c) 2007 Wiley Periodicals, Inc.

Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry. - 1984. - 29(2008), 3 vom: 01. Feb., Seite 416-33
1. Verfasser: Frison, Gilles (VerfasserIn)
Weitere Verfasser: Ohanessian, Gilles
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2008
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Comparative Study Journal Article Research Support, Non-U.S. Gov't Hydroxides Ligands Protons Water 059QF0KO0R hydroxide ion 9159UV381P mehr... Zinc J41CSQ7QDS