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/10.17863/cam.99091
Publication URI: https://www.repository.cam.ac.uk/handle/1810/352943
Type: Journal Article/Review