Empirical Correlations among Monohydride Bond Lengths
نویسندگان
چکیده
منابع مشابه
Hydrogen-atom abstractions: a semi-empirical approach to reaction energetics, bond lengths and bond-orders
ion at any point of the reaction coordinate. However, in this approximation, some systems present spurious negative activation energies. Johnston and Parr 3 addressed this problem by introducing an anti-Morse function to describe the triplet repulsion between the end atoms of the three-atom fragment involved in the reactive bonds. A recent evaluation of the BEBO method, involving 97 gas-phase r...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1965
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.1695939