Conformational analysis. 19. 1,2-Dichlorotetrafluoroethane: molecular structure, composition, anti-gauche energy and entropy differences, and quadratic force field: An electron-diffraction and ab initio study

Hanne Thomassen; Kenneth Hedberg

doi:10.1021/j100199a031

Conformational analysis. 19. 1,2-Dichlorotetrafluoroethane: molecular structure, composition, anti-gauche energy and entropy differences, and quadratic force field: An electron-diffraction and ab initio study

The Journal of Physical Chemistry ◽

10.1021/j100199a031 ◽

1992 ◽

Vol 96 (20) ◽

pp. 7983-7988 ◽

Cited By ~ 6

Author(s):

Hanne Thomassen ◽

Kenneth Hedberg

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Conformational Analysis ◽

Force Field ◽

Ab Initio ◽

Ab Initio Study ◽

Quadratic Force Field

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ChemInform Abstract: Conformational Analysis. Part 19. 1,2-Dichlorotetrafluoroethane. Molecular Structure, Composition, Anti-Gauche Energy and Entropy Differences, and Quadratic Force Field: An Electron-Diffraction and ab initio Study.

ChemInform ◽

10.1002/chin.199303059 ◽

2010 ◽

Vol 24 (3) ◽

pp. no-no

Author(s):

H. THOMASSEN ◽

K. HEDBERG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Conformational Analysis ◽

Force Field ◽

Ab Initio ◽

Ab Initio Study ◽

Quadratic Force Field

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ChemInform Abstract: 1,2-Dichlorotetrafluorocyclobutene: Gas-Phase Molecular Structure and Quadratic Force Field from an Electron-Diffraction and ab initio Study.

ChemInform ◽

10.1002/chin.199039052 ◽

1990 ◽

Vol 21 (39) ◽

Author(s):

H. THOMASSEN ◽

K. HEDBERG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Quadratic Force Field

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ChemInform Abstract: Hexafluorocyclobutene: Gas-Phase Molecular Structure and Quadratic Force Field from an Electron-Diffraction and ab initio Study.

ChemInform ◽

10.1002/chin.199033045 ◽

1990 ◽

Vol 21 (33) ◽

Author(s):

A. G. CSASZAR ◽

K. HEDBERG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Quadratic Force Field

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Hexafluorocyclobutene: gas-phase molecular structure and quadratic force field from an electron-diffraction and ab initio study

The Journal of Physical Chemistry ◽

10.1021/j100372a031 ◽

1990 ◽

Vol 94 (9) ◽

pp. 3525-3531 ◽

Cited By ~ 9

Author(s):

Attila G. Csaszar ◽

Kenneth. Hedberg

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Quadratic Force Field

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1,2-Dichlorotetrafluorocyclobutene: gas-phase molecular structure and quadratic force field from an electron-diffraction and ab initio study

The Journal of Physical Chemistry ◽

10.1021/j100375a018 ◽

1990 ◽

Vol 94 (12) ◽

pp. 4847-4850 ◽

Cited By ~ 8

Author(s):

Hanne. Thomassen ◽

Kenneth. Hedberg

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Quadratic Force Field

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The molecular structure and quadratic force field of tetramethylbutatriene (2,5-dimethyl-2,3,4-hexatriene) studied by gas-phase electron diffraction and ab initio MO calculations, and adjunct ab initio studies of butatriene

Journal of Molecular Structure ◽

10.1016/0022-2860(94)09018-k ◽

1995 ◽

Vol 346 ◽

pp. 153-172 ◽

Cited By ~ 1

Author(s):

Grete Gundersen ◽

Hanne G. Thomassen ◽

J.Erik Anensen

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Mo Calculations ◽

Ab Initio Mo Calculations ◽

Quadratic Force Field ◽

Ab Initio Mo ◽

Gas Phase Electron Diffraction

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Conformational Analysis. 21. Ethane-1,2-diol. An Electron-Diffraction Investigation, Augmented by Rotational Constants and ab Initio Calculations, of the Molecular Structure, Conformational Composition, SQM Vibrational Force Field, and Anti-Gauche Energy Difference with Implications for Internal Hydrogen Bonding

Journal of the American Chemical Society ◽

10.1021/ja9708631 ◽

1997 ◽

Vol 119 (35) ◽

pp. 8324-8331 ◽

Cited By ~ 43

Author(s):

M. Rahim Kazerouni ◽

Lise Hedberg ◽

Kenneth Hedberg

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Electron Diffraction ◽

Conformational Analysis ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Energy Difference ◽

Conformational Composition ◽

Electron Diffraction Investigation

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The molecular structure of S-triazine in the gas phase determined from electron diffraction, infrared/raman data and ab initio force field calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(86)80386-6 ◽

1986 ◽

Vol 147 (3-4) ◽

pp. 321-329 ◽

Cited By ~ 31

Author(s):

W. Pyckhout ◽

I. Callaerts ◽

C. Van Alsenoy ◽

H.J. Geise ◽

A. Almenningen ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Force Field Calculations

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An ab initio study of many isomers of S2O2. A combined theoretical and experimental analysis of the harmonic force field and molecular structure of cis-planar OSSO

Chemical Physics ◽

10.1016/0301-0104(90)87068-m ◽

1990 ◽

Vol 141 (2-3) ◽

pp. 335-353 ◽

Cited By ~ 14

Author(s):

Colin J. Marsden ◽

Brian J. Smith

Keyword(s):

Molecular Structure ◽

Force Field ◽

Ab Initio ◽

Experimental Analysis ◽

Ab Initio Study ◽

Harmonic Force

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The molecular structure of pyridine in the gas phase determined from electron diffraction, microwave and infrared data and ab-initio force-field calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(87)87034-5 ◽

1987 ◽

Vol 156 (3-4) ◽

pp. 315-329 ◽

Cited By ~ 38

Author(s):

W. Pyckhout ◽

N. Horemans ◽

C. Van Alsenoy ◽

H.J. Geise ◽

D.W.H. Rankin

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio ◽

Gas Phase ◽

Force Field Calculations ◽

Infrared Data

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