Electronic coupling matrix elements from charge constrained density functional theory calculations using a plane wave basis set. (2010)

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/10.1063/1.3507878

PubMed Identifier: 21197974

Publication URI: http://europepmc.org/abstract/MED/21197974

Type: Journal Article/Review

Volume: 133

Parent Publication: The Journal of chemical physics

Issue: 24

ISSN: 0021-9606