ALL-VALENCE-ELECTRON CONFIGURATION MIXING CALCULATIONS FOR CHARACTERIZATION OF 1(PI,PI-STAR) STATES OF ETHYLENE

被引：122

作者：

BUENKER, RJ ^{[1
]}

PEYERIMHOFF, SD ^{[1
]}

机构：

[1] UNIV BONN,LEHRSTUL THEORET CHEM,53 BONN,FED REP GER

来源：

CHEMICAL PHYSICS | 1975年 / 9卷 / 1-2期

关键词：

D O I：

10.1016/0301-0104(75)80119-4

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：75 / 89

页数：15

共 45 条

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CHEMICAL PHYSICS LETTERS, 1973, 19 (03) :323-327

[2] INTERPRETATION OF OPEN-SHELL SCF CALCULATIONS ON T AND V STATES OF ETHYLENE [J].

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[4] MULTICONFIGURATION WAVEFUNCTIONS FOR LOWEST (PI-PI) EXCITED-STATES OF ETHYLENE [J].

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HUNT, WJ .

CHEMICAL PHYSICS LETTERS, 1972, 15 (02) :171-&

[5] AB-INITIO CALCULATIONS ON ELECTRONIC-SPECTRUM OF ETHANE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS, 1975, 8 (1-2) :56-67

[6] COMBINED SCF AND CI CALCULATIONS FOR LOW-LYING RYDBERG AND VALENCE EXCITED STATES OF ETHYLENE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

KAMMER, WE .

JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (02) :814-+

[7] CALCULATIONS ON ELECTRONIC-SPECTRUM OF WATER [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS LETTERS, 1974, 29 (02) :253-259

[8] THEORETICAL-STUDY OF VERTICAL ELECTRONIC-SPECTRUM OF O2 - MIXING OF VALENCE AND RYDBERG STATES [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

CHEMICAL PHYSICS, 1975, 8 (03) :324-337

[9] NEW INTERPRETATION FOR STRUCTURE OF V-N BANDS OF ETHYLENE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD ;

HSU, HL .

CHEMISTRY AND PHYSICS OF LIPIDS, 1971, 11 (01) :65-+

[10]

BUENKER RJ, TO BE PUBLISHED

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