CONFPASS: fast DFT re-optimizations of structures from conformation searches (2023)

First Author: Lam C

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/10.26434/chemrxiv-2023-vhlgg-v2

Publication URI: http://dx.doi.org/10.26434/chemrxiv-2023-vhlgg-v2

Type: Preprint