Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment (2018)
Attributed to:
HIGH END COMPUTING MATERIALS CHEMISTRY CONSORTIUM
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1021/acs.jctc.8b01036
PubMed Identifier: 30511845
Publication URI: http://europepmc.org/abstract/MED/30511845
Type: Journal Article/Review
Parent Publication: Journal of Chemical Theory and Computation
Issue: 2
ISSN: 1549-9618