EQUILIBRIUM IN THE SYSTEM BeO: SO3: H2O.
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چکیده
منابع مشابه
Ab initio study of the isomeric equilibrium of the HCN...H2O and H2O...HCN hydrogen-bonded clusters.
An ab initio study of the stability, spectroscopic properties, and isomeric equilibrium of the hydrogen-bonded HCN...H2O and H2O...HCN isomers is presented. Density functional theory and perturbative second-order MP2 and coupled-cluster CCSD(T) calculations were carried out and binding energies obtained with correlation-consistent basis sets including extrapolation to the infinity basis set lev...
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ژورنال
عنوان ژورنال: Journal of the American Chemical Society
سال: 1904
ISSN: 0002-7863,1520-5126
DOI: 10.1021/ja02001a004