Investigating nuclear quantum effects of water
نویسندگان
چکیده
منابع مشابه
Heat capacity of water: A signature of nuclear quantum effects.
In this note we present results for the heat capacity at constant pressure for the TIP4PQ/2005 model, as obtained from path-integral simulations. The model does a rather good job of describing both the heat capacity of ice I(h) and of liquid water. Classical simulations using the TIP4P/2005, TIP3P, TIP4P, TIP4P-Ew, simple point charge/extended, and TIP5P models are unable to reproduce the heat ...
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ژورنال
عنوان ژورنال: Chinese Science Bulletin
سال: 2018
ISSN: 0023-074X
DOI: 10.1360/n972018-00331