A THEORETICAL-STUDY OF TRIATOMIC CARBON SILICON MIXED CLUSTERS - RELATIVE ENERGIES AND BINDING-ENERGIES

被引：23

作者：

DEUTSCH, PW

CURTISS, LA

机构：

[1] ARGONNE NATL LAB,DIV CHEM TECHNOL,ARGONNE,IL 60439

[2] ARGONNE NATL LAB,DIV MAT SCI,ARGONNE,IL 60439

来源：

CHEMICAL PHYSICS LETTERS | 1994年 / 226卷 / 3-4期

关键词：

D O I：

10.1016/0009-2614(94)00749-7

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 Gaussian-2 (G2) theoretical procedure, based on ab initio molecular orbital theory, is used to calculate the energies of mixed triatomic clusters of carbon and silicon. The G2 energies are used to derive accurate binding energies which are compared with experimental values.

引用

页码：387 / 391

页数：5

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