STRUCTURAL STUDIES AND VIBRATIONAL ANALYSES OF STABLE AND LESS STABLE CONFORMERS OF 1,3,5-HEXATRIENE BASED ON ABINITIO MO CALCULATIONS

被引：49

作者：

YOSHIDA, H

FURUKAWA, Y

TASUMI, M

机构：

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1989年 / 194卷

关键词：

D O I：

10.1016/0022-2860(89)80086-9

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

收藏

页码：279 / 299

页数：21

相关论文

共 22 条

[1] BINKLEY JS, 1984, PROGRAM GAUSSIAN 82
[2] AB INITIO STRUCTURES AND VIBRATIONAL ANALYSIS OF 2 PLANAR CONFIGURATIONS OF 1,3,5-HEXATRIENE
BOCK, CW
PANCHENKO, YN
KRASNOSHCHIOKOV, SV
PUPYSHEV, VI
[J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1986, 33 (1-2): : 131 - 140
[3] BOCK CW, 1984, J MOL STRUC-THEOCHEM, V109, P1
[4] FOGARASI G, 1987, J MOL STRUC-THEOCHEM, V36, P341, DOI 10.1016/0166-1280(87)85069-8
[5] MOLECULAR-FORCE FIELDS OF S-TRANS-1,3-BUTADIENE AND THE 2ND STABLE CONFORMER
FURUKAWA, Y
TAKEUCHI, H
HARADA, I
TASUMI, M
[J]. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1983, 56 (02) : 392 - 399
[6] MATRIX-ISOLATION INFRARED AND ULTRAVIOLET SPECTROSCOPIC STUDIES OF LESS STABLE CONFORMERS OF 1,3,5-HEXATRIENE
FURUKAWA, Y
TAKEUCHI, H
HARADA, I
TASUMI, M
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1983, 100 (JUL) : 341 - 350
[7] THEORETICAL-STUDY OF THE GROUND-STATE VIBRATIONS OF THE LINEAR POLYENES
HEMLEY, RJ
BROOKS, BR
KARPLUS, M
[J]. JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (11) : 6550 - 6564
[8] KUCHITSU K, 1976, LANDOLTBORNSTEIN NUM, V7, P335
[9] VIBRATIONAL-SPECTRA OF 1,3,5-HEXATRIENE AND METHYLATED DERIVATIVES
LANGKILDE, FW
WILBRANDT, R
NIELSEN, OF
CHRISTENSEN, DH
NICOLAISEN, FM
[J]. SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1987, 43 (10) : 1209 - 1230
[10] THE VIBRATIONAL SPECTRA AND GEOMETRICAL CONFIGURATION OF 1,3,5-HEXATRIENE
LIPPINCOTT, ER
WHITE, CE
SIBILIA, JP
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1958, 80 (12) : 2926 - 2930