ABINITIO STUDIES OF SMALL SODIUM SODIUM-HALIDE CLUSTERS, NANCLN AND NANCLN-1 (N-LESS-THAN-OR-EQUAL-TO-4)

被引：73

作者：

WEIS, P

OCHSENFELD, C

AHLRICHS, R

KAPPES, MM

机构：

[1] UNIV KARLSRUHE,LEHRSTUHL PHYS CHEM 2,W-7500 KARLSRUHE,GERMANY

[2] UNIV KARLSRUHE,LEHRSTUHL THEORET CHEM,W-7500 KARLSRUHE,GERMANY

来源：

JOURNAL OF CHEMICAL PHYSICS | 1992年 / 97卷 / 04期

关键词：

D O I：

10.1063/1.463094

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 geometries, energetics, and some first, and second order molecular properties (dipole moments, force constants, polarizabilities) of small stoichiometric (NaCl)n and nonstoichiometric (NanCln-1), n less-than-or-equal-to 4 clusters were studied at the SCF and various correlated levels.

引用

页码：2553 / 2560

页数：8

共 47 条

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