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.

引用

页码：21 / 25

页数：5

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