Q6: a comprehensive toolkit for empirical valence bond and related free energy calculations

Bauer, P., Barrozo, A., Purg, M., Amrein, B.A., Esguerra, M., Wilson, P.B. ORCID: 0000-0003-0207-2246, Major, D.T., Åqvist, J. and Kamerlin, S.C.L., 2018. Q6: a comprehensive toolkit for empirical valence bond and related free energy calculations. SoftwareX, 7, pp. 388-395. ISSN 2352-7110

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Item Type: Journal article
Publication Title: SoftwareX
Creators: Bauer, P., Barrozo, A., Purg, M., Amrein, B.A., Esguerra, M., Wilson, P.B., Major, D.T., Åqvist, J. and Kamerlin, S.C.L.
Publisher: Elsevier BV
Date: January 2018
Volume: 7
ISSN: 2352-7110
Identifiers:
NumberType
10.1016/j.softx.2017.12.001DOI
S2352711017300675Publisher Item Identifier
1314464Other
Divisions: Schools > School of Animal, Rural and Environmental Sciences
Depositing User: Jill Tomkinson
Date Added: 17 Jun 2020 14:42
Last Modified: 17 Jun 2020 14:42
URI: http://irep.ntu.ac.uk/id/eprint/40030

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