INFLUENCE OF SPIN CONTAMINATION AND BASIS SET ON ELECTROSTATIC POTENTIAL AND HFS COUPLING-CONSTANTS OF ORGANIC RADICALS

被引：18

作者：

CREMASCHI, P

GAMBA, A

MOROSI, G

SIMONETTA, M

机构：

[1] UNIV MILAN,CNR CTR,MILAN,ITALY

[2] UNIV MILAN,INST PHYS CHEM,MILAN,ITALY

来源：

THEORETICA CHIMICA ACTA | 1976年 / 41卷 / 02期

关键词：

D O I：

10.1007/BF01178077

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：

引用

页码：177 / 182

页数：6

共 34 条

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