INTERPRETATION OF ELECTRON-SPECTRA .1. SPECTRA OF FURAN, PYRROLE AND CYCLOPENTADIENE, STUDIED WITH HAM-3

被引：50
作者：
ASBRINK, L
FRIDH, C
LINDHOLM, E
机构：
[1] Physics Department, The Royal Institute of Technology
来源：
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 1979年 / 16卷 / 1-2期
关键词：
D O I：
10.1016/0368-2048(79)85005-7
中图分类号：
O433 [光谱学];
学科分类号：
0703 ; 070302 ;
摘要：
The interpretation of spectra of molecules by use of semi-empirical methods, of which SPINDO is an example, is usually possible for only one property of the molecule. If several properties of the molecules are used in the parametrization process the resulting method will have a more general applicability. This possibility is illustrated by the use of HAM/3 to interpret ionization energies, excitation energies and electron affinities of furan, pyrrole and cyclopentadiene. © 1979.
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页码：65 / 76
页数：12
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