Estimation of Electronic Coupling for Charge Transfer in Bioinorganic Molecules

ISSN: 1877-945X (Online)
ISSN: 1877-9441 (Print)


Volume 4, 3 Issues, 2014


Download PDF Flyer




Current Inorganic Chemistry

Aims & ScopeAbstracted/Indexed in


Submit Abstracts Online Submit Manuscripts Online

Editor-in-Chief:
Yann Garcia
Université Catholique de Louvain Institute of Condensed Matter and Nanosciences (IMCN) MOST - Inorganic Chemistry
Louvain-la-Neuve
Belgium


View Full Editorial Board

Subscribe Purchase Articles Order Reprints


Estimation of Electronic Coupling for Charge Transfer in Bioinorganic Molecules

Author(s): Alexander A. Voityuk

Affiliation: Institucio Catalana de Recerca i Estudis Avancats, 08010 Barcelona, Spain; Institute of Computational Chemistry, University of Girona, 17071 Girona, Spain.

Abstract

Fundamental biochemical processes such as respiration and photosynthesis rely on electron transfer (ET) between cofactors containing transition metal atoms. Donor-acceptor electronic coupling VDA is a key parameter that controls the ET rate. Accurate estimation of this parameter is challenging. In the paper, we consider different methods used to calculate the coupling matrix element for ET between transition-metal centers in proteins and discuss their advantages and limitations.

Keywords: Electron coupling, electronic transfer, structural dynamics, transition metal cofactors, quantum-mechanical calculations.

Purchase Online Rights and Permissions

  
  



Article Details

Volume: 3
Issue Number: 3
First Page: 260
Last Page: 269
Page Count: 10
DOI: 10.2174/1877944103666140110230337
Advertisement

Related Journals




Webmaster Contact: urooj@benthamscience.org Copyright © 2014 Bentham Science