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The influence of temperature and density functional models in ab initio molecular dynamics simulation of liquid water
VandeVondele, Joost, Mohamed, Fawzi, Krack, Matthias, Hutter, Jürg, Sprik, Michiel, Parrinello, MicheleVolume:
122
Year:
2005
Language:
english
DOI:
10.1063/1.1828433
File:
PDF, 313 KB
english, 2005