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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/41671068
Record Status
Checked
Record Id
41671068
Title
Open-Source, Python-Based Redevelopment of the ChemShell Multiscale QM/MM Environment
Contributors
Y Lu (STFC Daresbury Lab.)
,
MR Farrow
,
P Fayon (STFC Daresbury Lab., and Edinburgh Univ.)
,
AJ Logsdail
,
AA Sokol
,
CRA Catlow
,
P Sherwood (STFC Daresbury Lab.)
,
TW Keal (STFC Daresbury Lab.)
Abstract
Organisation
STFC
,
SCI-COMP
Keywords
Funding Information
EPSRC
(EP/K038419/1);
EPSRC
(EP/I030662/1)
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
J Chem Theory Comput
15, no. 2 (2018): 1317-1328.
doi:10.1021/acs.jctc.8b01036
2018
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