ELECTRONIC DEGREES OF FREEDOM AND UNIMOLECULAR RATE CONSTANTS IN METAL-CLUSTERS

被引：22

作者：

HANSEN, K ^{[1
]}

MANNINEN, M ^{[1
]}

机构：

[1] UNIV JYVASKYLA,DEPT PHYS,SF-40351 JYVASKYLA,FINLAND

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 12期

关键词：

D O I：

10.1063/1.467866

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：

We calculate the modifications of the unimolecular rate constants for free metallic clusters due to thermally exited electronic degrees of freedom. The effect is essentially taken into account by substituting Helmholtz's free energy of the electronic system for the ground state energy. The activation energy pertaining to the electronic ground states of the mother and daughter cluster is then replaced by the first difference in Helmholtz's free energy. © 1994 American Institute of Physics.

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页码：10481 / 10484

页数：4

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