A theoretical study on the ionic states of difluoroethylene with an analysis of the vibrational structure of the photoelectron spectra

被引：4
|
作者：
Takeshita, K [1 ]
机构：
[1] Tokyo Univ Agr, Fac Bioind, Abashiri, Hokkaido 0992493, Japan
来源：
CHEMICAL PHYSICS | 1999年 / 250卷 / 02期
关键词：
D O I：
10.1016/S0301-0104(99)00322-5
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 calculations have been performed to study the molecular structures and vibrational levels of the low-lying ionic states of difluoroethylene. The equilibrium molecular structures and vibrational modes of these states are presented. The theoretical ionization intensity curves including the vibrational structures of the ionic states are also presented and compared with the photoelectron spectra. (C) 1999 Elsevier Science B.V. All rights reserved.
引用
收藏
页码：113 / 122
页数：10
相关论文
共 50 条
12345