Electronic couplings for molecular charge transfer: benchmarking CDFT, FODFT, and FODFTB against high-level ab initio calculations. (2014)
Attributed to:
Development of a microscopic gas diffusion-reaction model for a H2 producing biocatalyst
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1063/1.4867077
PubMed Identifier: 24628150
Publication URI: http://europepmc.org/abstract/MED/24628150
Type: Journal Article/Review
Volume: 140
Parent Publication: The Journal of chemical physics
Issue: 10
ISSN: 0021-9606