Van der Waals interaction energies of helium, neon, and argon with naphthalene

被引：19

作者：

Clementi, E

Corongiu, G

机构：

[1] Univ Bonn, Inst Phys & Theoret Chem, D-53115 Bonn, Germany

[2] Univ Insubria, Dipartimento Sci CC FF MM, I-22100 Como, Italy

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2001年 / 105卷 / 45期

关键词：

D O I：

10.1021/jp011509z

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：

The Hartree-Fock and the Hartree-Fock-Clementi-Corongiu methods (Clementi, E.; Corongiu, G. Theochem. 2001, 543, 39) are selected to compute van der Waals potentials in the systems He-2, HeNe, HeAr, Ne-2, NeAr, Ar-2, benzene-He, benzene-Ne, and benzene-Ar and to determine the parameters needed for HF-CC computations of van der Waals interaction energies of naphthalene-He, naphthalene-Ne, and naphthalene-Ar; shallow double wells are predicted for the above naphthalene systems.

引用

收藏

页码：10379 / 10383

页数：5

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