THE BUTADIENE-1,3 INTERNAL-ROTATION POTENTIAL FUNCTION OBTAINED FROM ABINITIO CALCULATION AND EXPERIMENTAL-DATA

被引：39

作者：

PANCHENKO, YN ^{[1
]}

ABRAMENKOV, AV ^{[1
]}

BOCK, CW ^{[1
]}

机构：

[1] PHILADELPHIA COLL TEXT & SCI,DEPT CHEM,PHILADELPHIA,PA 19144

来源：

关键词：

D O I：

10.1016/0022-2860(86)80150-8

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：87 / 92

页数：6

共 11 条

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[2] A MOLECULAR-ORBITAL STUDY OF THE ROTATION ABOUT THE C-C BOND IN 1,3-BUTADIENE
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[3] STRUCTURE AND VIBRATIONAL ASSIGNMENT OF GAUCHE-1,3-BUTADIENE
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[J]. JOURNAL OF MOLECULAR STRUCTURE, 1985, 129 (1-2) : 57 - 67
[4] BOCK CW, 1984, J MOL STRUC-THEOCHEM, V109, P1
[5] DEMARE GR, 1984, J MOL STRUC-THEOCHEM, V109, P103
[6] DEMARE GR, 1984, J MOL STRUC-THEOCHEM, V107, P127
[7] PERIODIC POTENTIAL FUNCTIONS FOR PSEUDOROTATION AND INTERNAL-ROTATION
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[8] ON THE 2ND ROTATIONAL ISOMERIC FORM OF BUTADIENE-1,3
PANCHENKO, YN
ABRAMENKOV, AV
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[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 99 (02) : 288 - 293
[9] PANCHENKO YN, 1985, J MOL STRUCT, V130, P355, DOI 10.1016/0022-2860(85)87017-4
[10] ENERGY LEVELS AND THERMODYNAMIC FUNCTIONS FOR MOLECULES WITH INTERNAL ROTATION .2. UNSYMMETRICAL TOPS ATTACHED TO A RIGID FRAME
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