SEMIEMPIRICAL INVESTIGATION OF THE ANGULAR-DEPENDENCE OF THE INTERACTION ENERGY BETWEEN 2 GROUND-STATE OXYGEN MOLECULES

被引：5

作者：

BUSSERY, B

AUBERTFRECON, M

机构：

[1] Laboratoire de Spectrométrie Ionique et Moléculaire (associé au CNRS, No. 171), Université Lyon I, 69622 Villeurbanne Cedex, Bat. 205, 43 Boulevard du

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 179卷 / 04期

关键词：

D O I：

10.1016/0009-2614(91)85172-S

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

An orientation-dependent intermolecular potential for two ground-state O2 molecules has been determined using a modified Kihara potential function based on molecular charge-distribution contours, observed second virial coefficients and long-range electrostatic quadrupolar and dispersion interactions. Good agreement with experimental predictions and ab initio calculations has been displayed.

引用

页码：393 / 397

页数：5

共 16 条

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