DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. (2020)
Attributed to:
Computational prediction of hot-electron chemistry: Towards electronic control of catalysis
funded by
FLF
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1063/1.5143190
PubMed Identifier: 32241125
Publication URI: http://europepmc.org/abstract/MED/32241125
Type: Journal Article/Review
Volume: 152
Parent Publication: The Journal of chemical physics
Issue: 12
ISSN: 0021-9606