Simple position and orientation preconditioning scheme for minimum energy path calculations. (2021)

First Author: Robertson C
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