Simple position and orientation preconditioning scheme for minimum energy path calculations. (2021)
Attributed to:
Accelerating catalyst design using reaction-path data mining
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1002/jcc.26495
PubMed Identifier: 33617652
Publication URI: http://europepmc.org/abstract/MED/33617652
Type: Journal Article/Review
Volume: 42
Parent Publication: Journal of computational chemistry
Issue: 11
ISSN: 0192-8651