An accurate analytic representation of the water pair potential
نویسندگان
چکیده
منابع مشابه
Spectroscopic determination of the water pair potential.
A polarizable water pair potential was determined by fitting a potential form to microwave, terahertz, and mid-infrared (D2O)2 spectra through a rigorous calculation of the water dimer eigenstates. It accurately reproduces most ground state vibration-rotation-tunneling spectra and yields excellent second viral coefficients. The calculated dimer structure and dipole moment are very close to thos...
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Thermodynamics and Structure of Simple Liquid Metals Calculated Using an Analytic Pair Potential
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2008
ISSN: 1463-9076,1463-9084
DOI: 10.1039/b809435g