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CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches. (2023)

First Author: Lam CC

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