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

M. Rahim Kazerouni; Lise Hedberg; Kenneth Hedberg

doi:10.1021/ja00091a036

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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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. 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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Conformational analysis. 23: A gas-phase electron-diffraction and ab initio molecular orbital investigation of 3-fluoropropan-1-ol. Is there significant internal hydrogen bonding?

Journal of Molecular Structure ◽

10.1016/s0022-2860(01)00546-4 ◽

2001 ◽

Vol 567-568 ◽

pp. 187-196 ◽

Cited By ~ 9

Author(s):

Alan D. Richardson ◽

Kenneth Hedberg

Keyword(s):

Hydrogen Bonding ◽

Electron Diffraction ◽

Conformational Analysis ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Internal Hydrogen ◽

Gas Phase Electron Diffraction

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Structure, Conformations, and Internal Hydrogen Bonding in Gaseous 4-Fluorobutan-1-ol. Gas-Phase Electron Diffraction and Ab Initio Study

The Journal of Physical Chemistry A ◽

10.1021/jp012392h ◽

2001 ◽

Vol 105 (41) ◽

pp. 9587-9594 ◽

Cited By ~ 4

Author(s):

Alan D. Richardson ◽

Kenneth Hedberg ◽

Rolf W. Winter ◽

Gary L. Gard

Keyword(s):

Hydrogen Bonding ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Ab Initio Study ◽

Internal Hydrogen ◽

Gas Phase Electron Diffraction

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Molecular structure and conformational composition of 2-chloropropanal, a gas-phase electron-diffraction and ab initio investigation

The Journal of Physical Chemistry ◽

10.1021/j100143a023 ◽

1993 ◽

Vol 97 (41) ◽

pp. 10670-10673 ◽

Cited By ~ 1

Author(s):

Kirsten Aarset ◽

Kolbjoern Hagen ◽

Gernot Frenking ◽

Arno Wehrsig

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Conformational Composition ◽

Gas Phase Electron Diffraction

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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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Intramolecular Hydrogen Bonding and Molecular Structure of 2,5-Dihydroxyterephthalaldehyde and 4,6-Dihydroxyisophthalaldehyde: A Gas-Phase Electron Diffraction and ab Initio Molecular Orbital Study

The Journal of Physical Chemistry ◽

10.1021/jp9620072 ◽

1996 ◽

Vol 100 (50) ◽

pp. 19303-19309 ◽

Cited By ~ 15

Author(s):

Konstantin B. Borisenko ◽

Károly Zauer ◽

István Hargittai

Keyword(s):

Molecular Structure ◽

Hydrogen Bonding ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Molecular Orbital ◽

Intramolecular Hydrogen Bonding ◽

Molecular Orbital Study ◽

Intramolecular Hydrogen ◽

Gas Phase Electron Diffraction

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Molecular structure and conformational composition of 1,1-dichlorobutane: a gas-phase electron diffraction and ab initio investigation

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00162-2 ◽

1997 ◽

Vol 413-414 ◽

pp. 241-248 ◽

Cited By ~ 3

Author(s):

Kirsten Aarset ◽

Kolbjørn Hagen ◽

Reidar Stølevik

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio ◽

Gas Phase ◽

Conformational Composition ◽

Gas Phase Electron Diffraction

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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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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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