The carbon-carbon bond dissociation energy as a function of the chain length

被引：32

作者：

Alkorta, Ibon ^{[1
]}

Elguero, Jose ^{[1
]}

机构：

[1] CSIC, Inst Quim Med, E-28006 Madrid, Spain

来源：

CHEMICAL PHYSICS LETTERS | 2006年 / 425卷 / 4-6期

关键词：

D O I：

10.1016/j.cplett.2006.05.050

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：

All the C-C fragmentations of the linear n-alkanes, CnH2n+2, for n = 2 to n = 10 and the final C-H bond breaking have been calculated with the composite methods G(2), G(2)MP(2), G(3), G(3)MP(2)B(3) and G(3)B(3). The results have been compared with the available experimental data. (c) 2006 Elsevier B.V. All rights reserved.

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页码：221 / 224

页数：4

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