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Isobaric–Isothermal Monte Carlo Simulations from First Principles: Application to Liquid Water at Ambient Conditions
Matthew J. McGrath, J. Ilja Siepmann, I-Feng W. Kuo, Christopher J. Mundy, Joost VandeVondele, Jürg Hutter, Fawzi Mohamed, Matthias KrackVolume:
6
Year:
2005
Language:
english
Pages:
8
DOI:
10.1002/cphc.200400580
File:
PDF, 140 KB
english, 2005