ABINITIO CALCULATIONS OF OSCILLATOR AND ROTATORY STRENGTHS IN RANDOM-PHASE APPROXIMATION - PLANAR AND TWISTED BUTADIENE

被引：7

作者：

BOUMAN, TD ^{[1
]}

HANSEN, AE ^{[1
]}

机构：

[1] HC ORSTED INST,DEPT PHYS CHEM,DK-2100 COPENHAGEN 0,DENMARK

来源：

CHEMICAL PHYSICS LETTERS | 1978年 / 53卷 / 01期

关键词：

D O I：

10.1016/0009-2614(78)80414-X

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：160 / 164

页数：5

共 17 条

[1] OCTANT RULE .5. NATURE OF 3RD NODAL SURFACE - UNDERSTANDING OF ANTI-OCTANT AND FRONT OCTANT EFFECTS BY A CNDO-S STUDY OF ROTATORY STRENGTHS OF CARBONYL NORMAL-]PISTAR TRANSITION [J].

BOUMAN, TD ;

LIGHTNER, DA .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (11) :3145-3154

[2] ABINITIO CALCULATIONS OF OSCILLATOR AND ROTATORY STRENGTHS IN RANDOM-PHASE APPROXIMATION - TWISTED MONO-OLEFINS [J].

BOUMAN, TD ;

HANSEN, AE .

JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (08) :3460-3467

[3] NONPLANARITY IN HEXAFLUOROBUTADIENE AS REVEALED BY PHOTOELECTRON AND OPTICAL SPECTROSCOPY [J].

BRUNDLE, CR ;

ROBIN, MB .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (19) :5550-&

[4] SYNTHESIS AND CHIROPTICAL PROPERTIES OF SOME ASYMMETRIC PLANAR CISOID DIENES [J].

BURGSTAHLER, AW ;

BOGER, DL ;

NAIK, NC .

TETRAHEDRON, 1976, 32 (03) :309-315

[5] AB-INITIO INVESTIGATION ON OMICRON-PI INTERACTIONS IN ELECTRIC STATES OF S-TRANS-1,3-BUTADIENE [J].

CLARK, PA ;

CSIZMADI.IG .

JOURNAL OF CHEMICAL PHYSICS, 1972, 56 (06) :2755-&

[6] NONEMPIRICAL CALCULATIONS ON EXCITED STATES - ETHYLENE MOLECULE [J].

DUNNING, TH ;

MCKOY, V .

JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (05) :1735-&

[7] CORRELATION EFFECTS IN CALCULATION OF ORDINARY AND ROTATORY INTENSITIES [J].

HANSEN, AE .

MOLECULAR PHYSICS, 1967, 13 (05) :425-&

[8] ABINITIO STUDY OF PI-ELECTRON STATES OF TRANS-BUTADIENE [J].

HOSTENY, RP ;

DUNNING, TH ;

GILMAN, RR ;

PIPANO, A ;

SHAVITT, I .

JOURNAL OF CHEMICAL PHYSICS, 1975, 62 (12) :4764-4779

[9]

Hunt WJ, 1969, CHEM PHYS LETT, V3, P414, DOI 10.1016/0009-2614(69)80154-5

[10] OPTICAL ACTIVITY IN SKEWED DIENES [J].

MOSCOWITZ, A ;

WEISS, U ;

ZIFFER, H ;

CHARNEY, E .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1961, 83 (22) :4661-&

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