Q6: A comprehensive toolkit for empirical valence bond and...

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SoftwareX 2018 / 1

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

Bauer, Paul, Barrozo, Alexandre, Purg, Miha, Amrein, Beat Anton, Esguerra, Mauricio, Wilson, Philippe Barrie, Major, Dan Thomas, Åqvist, Johan, Kamerlin, Shina Caroline Lynn
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Language:
english
Journal:
SoftwareX
DOI:
10.1016/j.softx.2017.12.001
Date:
January, 2018
File:
PDF, 1.34 MB
english, 2018
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