Automated development of force fields for the calculation...

Molecular Simulation 2013 / 02 Vol. 39; Iss. 2

Automated development of force fields for the calculation of thermodynamic properties: acetonitrile as a case study

Deublein, Stephan, Metzler, Patrick, Vrabec, Jadran, Hasse, Hans
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Volume:
39
Language:
english
Journal:
Molecular Simulation
DOI:
10.1080/08927022.2012.705434
Date:
February, 2013
File:
PDF, 260 KB
english, 2013
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