Tests of an adaptive QM/MM calculation on free energy profiles of chemical reactions in solution. (2013)
Attributed to:
Adaptive QM/MM simulations
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/jp405974b
PubMed Identifier: 24033146
Publication URI: http://europepmc.org/abstract/MED/24033146
Type: Journal Article/Review
Volume: 117
Parent Publication: The journal of physical chemistry. B
Issue: 40
ISSN: 1520-5207