TRANSITION-STATES FOR AR-55

被引：70

作者：

WALES, DJ ^{[1
]}

机构：

[1] UNIV CHICAGO,DEPT CHEM,CHICAGO,IL 60637

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 166卷 / 04期

关键词：

D O I：

10.1016/0009-2614(90)85054-G

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：

Five transition states for the Mackay icosahedral Ar55 cluster have been calculated, demonstrating the power of the Cerjan-Miller eigenvector-following method when applied to such systems. These results represent an important step towards a more detailed understanding of the relation between energetics, reactivity and the potential energy surfaces for these and related systems. © 1990.

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页码：419 / 424

页数：6

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