ELECTRONIC-STRUCTURE OF PYRAZINE - CONFIGURATION INTERACTION CALCULATIONS USING AN EXTENDED BASIS

被引：60

作者：

WADT, WR ^{[1
]}

GODDARD, WA III ^{[1
]}

DUNNING, TH ^{[1
]}

机构：

[1] UNIV CALIF LOS ALAMOS SCI LAB, DIV THEORET, LOS ALAMOS, NM 87544 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 1976年 / 65卷 / 01期

关键词：

FORBIDDEN CHARACTER; EXCITED-STATES; SPECTRA; SINGLET; TRANSITIONS; PHOSPHORESCENCE; AZABENZENES; ABSORPTION; MOLECULES; PYRIDINE;

D O I：

10.1063/1.432786

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：438 / 445

页数：8

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