A Monte Carlo Resampling Approach for the Calculation of Hybrid Classical and Quantum Free Energies. (2017)
Attributed to:
SI2-CHE: Development and Deployment of Chemical Software for Advanced Potential Energy Surfaces
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.6b00506
PubMed Identifier: 28029794
Publication URI: http://europepmc.org/abstract/MED/28029794
Type: Journal Article/Review
Volume: 13
Parent Publication: Journal of chemical theory and computation
Issue: 2
ISSN: 1549-9618