期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 9, 期 22, 页码 2775-2778出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b703873a
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It is shown that quadrupolar interactions play a determinant role in the melting temperatures of common water models and that there is a simple relationship between the strength of the quadrupolar forces and the position of the negative charge; our conclusion is that acceptable predictions for the melting temperature can only be obtained when the negatively charged site is shifted from the oxygen atom towards the hydrogens.
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