NON-EMPIRICAL CALCULATIONS ON ELECTRONIC-SPECTRUM OF BUTADIENE

被引：113

作者：

SHIH, S

BUENKER, RJ

PEYERIMHOFF, SD

机构：

来源：

CHEMICAL PHYSICS LETTERS | 1972年 / 16卷 / 02期

关键词：

D O I：

10.1016/0009-2614(72)80264-1

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：244 / +

页数：1

共 18 条

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[2]

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

[4] COMBINED SCF AND CI METHOD FOR CALCULATION OF ELECTRONICALLY EXCITED STATES MOLECULES - POTENTIAL CURVES FOR LOW-LYING STATES OF FORMALDEHYDE [J].

BUENKER, RJ ;

PEYERIMHOFF, SD .

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[5] AB INITIO SCF MO AND CI STUDIES OF ELECTRONIC STATES OF BUTADIENE [J].

BUENKER, RJ ;

WHITTEN, JL .

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[6] 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-+

[7] The theoretical description of the (pi pi*) excited states of ethylene [J].

Dunning, T. H., Jr. ;

Huntt, W. J. ;

Goddard, W. A., III .

CHEMICAL PHYSICS LETTERS, 1969, 4 (03) :147-150

[8] MAGNETIC PETURBATION OF SINGLET-TRIPLET TRANSITIONS .4. UNSATURATED COMPOUNDS [J].

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JOURNAL OF THE CHEMICAL SOCIETY, 1960, (APR) :1735-1745

[9]

HERZBERG G, 1966, MOLECULAR SPECTRA MO, V3, P656

[10]

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