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

M. Rahim Kazerouni; Lise Hedberg; Kenneth Hedberg

doi:10.1021/ja9708631

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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Internal hydrogen bonding in gaseous 3-aminoacrolein: an electron-diffraction investigation augmented by ab initio calculations of its molecular structure and conformational composition

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00406-7 ◽

1998 ◽

Vol 445 (1-3) ◽

pp. 1-11 ◽

Cited By ~ 5

Author(s):

Alan D. Richardson ◽

Kenneth Hedberg ◽

Kenneth B. Wiberg ◽

Paul R. Rablen

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Conformational Composition ◽

Electron Diffraction Investigation ◽

Internal Hydrogen

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Conformational Analysis. 16. Ethylenediamine. An Electron-Diffraction and ab Initio Investigation of the Molecular Structure, Conformational Composition, Anti-Gauche Energy and Entropy Differences, and Implications for Internal Hydrogen Bonding

Journal of the American Chemical Society ◽

10.1021/ja00091a036 ◽

1994 ◽

Vol 116 (12) ◽

pp. 5279-5284 ◽

Cited By ~ 24

Author(s):

M. Rahim Kazerouni ◽

Lise Hedberg ◽

Kenneth Hedberg

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Electron Diffraction ◽

Conformational Analysis ◽

Ab Initio ◽

Conformational Composition ◽

Internal Hydrogen

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The force field and molecular structure of dimethylsulfoxide from spectroscopic and gas electron diffraction data and ab initio calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(01)00850-x ◽

2001 ◽

Vol 599 (1-3) ◽

pp. 177-193 ◽

Cited By ~ 17

Author(s):

Volker Typke ◽

Marwan Dakkouri

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Diffraction Data ◽

Gas Electron Diffraction ◽

Electron Diffraction Data

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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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Conformational analysis. 12. 2-Chloropropenoyl chloride. An electron-diffraction investigation of the molecular structure, conformational composition, anti-syn energy and entropy differences, and potential hindering internal rotation

Journal of the American Chemical Society ◽

10.1021/ja00200a002 ◽

1989 ◽

Vol 111 (18) ◽

pp. 6905-6909 ◽

Cited By ~ 7

Author(s):

Kolbjoern Hagen ◽

Kenneth Hedberg

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Conformational Analysis ◽

Internal Rotation ◽

Conformational Composition ◽

Electron Diffraction Investigation

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A reinvestigation of the molecular structure of dimethyl- N -nitramine by gas electron diffraction, ab initio calculations of the molecular geometry and the force field and vibrational spectra

Journal of Molecular Structure ◽

10.1016/s0022-2860(98)00847-3 ◽

1999 ◽

Vol 485-486 ◽

pp. 153-161 ◽

Cited By ~ 3

Author(s):

Igor F. Shishkov ◽

Lyudmila V. Khristenko ◽

Victor A. Sipachev ◽

Lev V. Vilkov ◽

Svein Samdal ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Force Field ◽

Ab Initio Calculations ◽

Ab Initio ◽

Vibrational Spectra ◽

Molecular Geometry ◽

Gas Electron Diffraction

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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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Molecular structure and conformational composition of 1-iodopropane as determined from gas-phase electron diffraction, microwave spectroscopy data and ab initio calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(94)09003-8 ◽

1995 ◽

Vol 346 ◽

pp. 75-82 ◽

Cited By ~ 7

Author(s):

Kolbjørn Hagen ◽

Reidar Stølevik ◽

Per Christian Sæbø

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Microwave Spectroscopy ◽

Spectroscopy Data ◽

Conformational Composition ◽

Gas Phase Electron Diffraction

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Molecular structure and conformational composition of 1-Chlorobutane, 1-Bromobutane, and 1-Iodobutane as determined by gas-phase electron diffraction and ab initio calculations

Structural Chemistry ◽

10.1007/bf02286448 ◽

1995 ◽

Vol 6 (3) ◽

pp. 197-205 ◽

Cited By ~ 18

Author(s):

Kirsten Aarset ◽

Kolbjørn Hagen ◽

Reidar Stølevik ◽

Sæbø Per Christian

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Conformational Composition ◽

Gas Phase Electron Diffraction

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Conformational analysis. 11. 2-Aminoethanethiol. An electron-diffraction investigation of the molecular structure, conformational composition, and anti-gauche energy and entropy differences; evidence for an intramolecular thiol-nitrogen hydrogen bond

Journal of the American Chemical Society ◽

10.1021/ja00257a014 ◽

1987 ◽

Vol 109 (23) ◽

pp. 6989-6994 ◽

Cited By ~ 9

Author(s):

Sarah L. Barkowski ◽

Kenneth Hedberg

Keyword(s):

Molecular Structure ◽

Hydrogen Bond ◽

Electron Diffraction ◽

Conformational Analysis ◽

Conformational Composition ◽

Electron Diffraction Investigation ◽

Nitrogen Hydrogen Bond

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