Intermolecular potential energy surface for CS2 dimer
نویسندگان
چکیده
منابع مشابه
Intermolecular potential energy surface and second virial coefficients for the water-CO2 dimer.
A five-dimensional potential energy surface is calculated for the interaction of water and CO(2), using second-order Møller-Plesset perturbation theory and coupled-cluster theory with single, double, and perturbative triple excitations. The correlation energy component of the potential energy surface is corrected for basis set incompleteness. In agreement with previous studies, the most negativ...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2010
ISSN: 0192-8651
DOI: 10.1002/jcc.21658