Charge constrained density functional molecular dynamics for simulation of condensed phase electron transfer reactions. (2009)

First Author: Oberhofer H
Attributed to:  Computation of electron transfer properties for heme-containing oxidoreductases funded by EPSRC

Abstract

No abstract provided

Bibliographic Information

Digital Object Identifier: http://dx.doi.org/10.1063/1.3190169

PubMed Identifier: 19691372

Publication URI: http://europepmc.org/abstract/MED/19691372

Type: Journal Article/Review

Volume: 131

Parent Publication: The Journal of chemical physics

Issue: 6

ISSN: 0021-9606