ELECTRONIC-STRUCTURE AND SPECTRUM OF CYANOGEN

被引：26

作者：

BELL, S

机构：

[1] Department of Chemistry, University of Dundee, Dundee

来源：

CHEMICAL PHYSICS LETTERS | 1979年 / 67卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(79)85213-6

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：

Ab initio RHF calculations have been made with a double-zeta basis of contracted gaussian functions for the ground state of C2N2.40 excited states of different configurations and symmetrics, and four states of C2N+2. The assignments of known UV absorption and PE spectra are considered in the light of calculated excitation energies. © 1979.

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页码：498 / 502

页数：5

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