CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches. (2023)
Attributed to:
Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jcim.3c00649
PubMed Identifier: 37428183
Publication URI: http://europepmc.org/abstract/MED/37428183
Type: Journal Article/Review
Volume: 63
Parent Publication: Journal of chemical information and modeling
Issue: 14
ISSN: 1549-9596