A MOLECULAR MECHANICS CALCULATION OF CONFORMATIONAL ENERGIES AND BARRIER HEIGHTS IN HALOALKANES

被引：55

作者：

ABRAHAM, RJ ^{[1
]}

STOLEVIK, R ^{[1
]}

机构：

[1] UNIV TRONDHEIM,DEPT CHEM,N-7000 TRONDHEIM,NORWAY

来源：

CHEMICAL PHYSICS LETTERS | 1981年 / 77卷 / 01期

关键词：

D O I：

10.1016/0009-2614(81)85624-2

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：181 / 185

页数：5

共 36 条

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[2] ROTATIONAL ISOMERISM .11. NUCLEAR MAGNETIC RESONANCE SPECTRA AND ROTATIONAL ISOMERISM OF 1,2-DIFLUORO-ETHANE AND 1,1,2-TRIFLUORO-ETHANE
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[3] ROTATIONAL ISOMERISM .8. A CALCULATION OF ROTATIONAL BARRIERS AND ROTAMER ENERGIES OF SOME HALOGENATED COMPOUNDS
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[4] ABRAHAM RJ, UNPUBLISHED
[5] ROTATIONAL SPECTRUM OF 1,1 DIFLUOROETHANE
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[6] CONFORMATIONAL-ANALYSIS .125. IMPORTANCE OF TWOFOLD BARRIERS IN SATURATED MOLECULES
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[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (10) : 3282 - 3284
[7] GAS-PHASE ELECTRON-DIFFRACTION STUDY OF THE MOLECULAR-STRUCTURE OF 1,1,2-TRIFLUOROETHANE, ASSISTED BY CALCULATION OF THE VIBRATIONAL AMPLITUDES FOR 1,2-DIFLUOROETHANE FROM SPECTROSCOPIC DATA
BEAGLEY, B
BROWN, DE
[J]. JOURNAL OF MOLECULAR STRUCTURE, 1979, 54 (JUL) : 175 - 184
[8] STEREOCHEMICAL CONSEQUENCES OF ELECTRON DELOCALIZATION IN EXTENDED PI SYSTEMS - INTERPRETATION OF CIS EFFECT EXHIBITED BY 1,2-DISUBSTITUTED ETHYLENES AND RELATED PHENOMENA
BINGHAM, RC
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (02) : 535 - 540
[9] RELATIVE STABILITY OF 1,2-DIFLUOROETHYLENES
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POPLE, JA
[J]. CHEMICAL PHYSICS LETTERS, 1977, 45 (02) : 197 - 200
[10] BARRIERS TO INTERNAL ROTATION IN SOME CHLORO-SUBSTITUTED ETHANES AND FLUORO-SUBSTITUTED ETHANES
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[J]. JOURNAL OF MOLECULAR STRUCTURE, 1970, 6 (01) : 23 - &

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