MOLECULAR-ORBITAL CALCULATIONS WITH SPECIFIC PARAMETRIZATION (MOSP) .2. CALCULATION OF IONIZATION-POTENTIALS

被引：0
|
作者：
BACALOGLU, R
BACALOGLU, I
SIMON, Z
机构：
[1] UNIV TIMISOARA,QSAR GRP,R-1900 TIMISOARA,ROMANIA
[2] UNIV MED & PHARM,R-1900 TIMISOARA,ROMANIA
来源：
REVUE ROUMAINE DE CHIMIE | 1992年 / 37卷 / 01期
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
An acceptable correlation was found between experimental ionisation potentials an energies calculated by the MOSP method, for 376 ionisation potentials of 151 molecules. The mean percentage of error is 4.2 % comparable with the precision usually reached by more advanced methods.
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页码：21 / 25
页数：5
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