A THEORETICAL-STUDY OF THE THERMOCHEMISTRY OF SIFN AND SIHNFM COMPOUNDS AND SI2F6

被引：199

作者：

HO, P ^{[1
]}

MELIUS, CF ^{[1
]}

机构：

[1] SANDIA NATL LABS, DIV 8357, LIVERMORE, CA 94551 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1990年 / 94卷 / 12期

关键词：

D O I：

10.1021/j100375a066

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：

A self-consistent set of heats of formation for the SiFn (n = 1-4) compounds, SiHnFm (n + m ≤ 4) compounds, and Si2F6 are obtained by use of ab initio electronic structure calculations combined with empirical corrections. Revised values for the heats of formation of the SiHn (n = 1-4), SiCln (n = 1-4), SiHnCln (n + m ≤ 4 ), and Si2Hn (n + 0-6) compounds and Si3H8 are also given. © 1990 American Chemical Society.

引用

页码：5120 / 5127

页数：8

共 49 条

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