AM1 STABILITY PREDICTION - B36N24 GREATER-THAN B36P24 GREATER-THAN AL36N24 GREATER-THAN A1(36)P(24)

被引：18

作者：

SLANINA, Z

SUN, ML

LEE, SL

机构：

[1] Department of Chemistry, National Chung-Cheng University, Ming-Hsiung

来源：

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM | 1995年 / 334卷 / 2-3期

关键词：

D O I：

10.1016/0166-1280(94)04020-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：

Relative stabilities of the title species are treated using the AM1 heats of atomization. The B36N24 cage of T-h symmetry is concluded to be the most stable. This remains true in a comparison with B24N36, B48N12, and B12N48, and also with respect to the best B30N30 structure presently known.

引用

页码：229 / 233

页数：5

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