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.
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页码：229 / 233
页数：5
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