On the variation of the electric quadrupole moment with internuclear distance and the atom–diatom long-range electrostatic interaction energy

文献情報

出版日 2000-02-07

DOI 10.1039/A908694C

インパクトファクター 3.676

著者

S. P. J. Rodrigues, A. J. C. Varandas

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要旨

The electric quadrupole moment of several first-row diatomic hydrides has been calculated as a function of the internuclear distance. The calculated values have been fitted to a general analytical function which covers from the united-atom to the separated-atoms limits. A discussion on the atom–diatom electrostatic interaction energy is presented, and the validity of the classical optimized quadrupole moment method tested.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

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