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