Water trimer torsional spectrum from accurate ab initio and semiempirical potentials
نویسندگان
چکیده
منابع مشابه
Water trimer torsional spectrum from accurate ab initio and semiempirical potentials.
The torsional levels of (H2O)3 and (D2O)3 were calculated in a restricted dimensionality (three-dimensional) model with several recently proposed water potentials. Comparison with the experimental data provides a critical test, not only of the pair interactions that have already been probed on the water dimer spectra, but also of the nonadditive three-body contributions to the potential. The pu...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2008
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.2812556