Conformational Composition of Gaseoustrans-1,4-Dichlorocyclohexane. Molecular Structures and Energy Differences of the aa and ee Components from Gas-Phase Electron Diffraction and ab Initio Calculations

Alan D. Richardson; Kenneth Hedberg; Kenneth B. Wiberg

doi:10.1021/jp9914572

Conformational Composition of Gaseoustrans-1,4-Dichlorocyclohexane. Molecular Structures and Energy Differences of the aa and ee Components from Gas-Phase Electron Diffraction and ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp9914572 ◽

1999 ◽

Vol 103 (38) ◽

pp. 7709-7714 ◽

Cited By ~ 5

Author(s):

Alan D. Richardson ◽

Kenneth Hedberg ◽

Kenneth B. Wiberg

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Structures ◽

Conformational Composition ◽

Gas Phase Electron Diffraction

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Molecular structures of tetraborane(10) derivatives: ab initio calculations for H2MB3H8 (M = B, Al, Ga or In) and gas-phase electron diffraction study of H2GaB3H8

Journal of the Chemical Society Dalton Transactions ◽

10.1039/a801553h ◽

1998 ◽

pp. 2147-2154 ◽

Cited By ~ 9

Author(s):

Carole A. Morrison ◽

Bruce A. Smart ◽

Paul T. Brain ◽

Colin R. Pulham ◽

David W. H. Rankin ◽

...

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Diffraction Study ◽

Gas Phase ◽

Electron Diffraction Study ◽

Molecular Structures ◽

Gas Phase Electron Diffraction

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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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On the planarity of styrene and its derivatives: the molecular structures of styrene and (Z)-β-bromostyrene as determined by ab initio calculations and gas-phase electron diffraction

Journal of Molecular Structure ◽

10.1016/s0022-2860(97)00071-9 ◽

1997 ◽

Vol 413-414 ◽

pp. 313-326 ◽

Cited By ~ 27

Author(s):

John C. Cochran ◽

Kolbjørn Hagen ◽

Gunnar Paulen ◽

Quang Shen ◽

Samson Tom ◽

...

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Structures ◽

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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Molecular structures of M(But)3(M = Al, Ga, In) using gas-phase electron diffraction and ab initio calculations: experimental and computational evidence for charge-transfer processes leading to photodissociation

Dalton Transactions ◽

10.1039/b714168h ◽

2008 ◽

pp. 404-410 ◽

Cited By ~ 9

Author(s):

Andrea Keys ◽

Paul T. Brain ◽

Carole A. Morrison ◽

Rhonda L. Callender ◽

Bruce A. Smart ◽

...

Keyword(s):

Charge Transfer ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Structures ◽

Transfer Processes ◽

Gas Phase Electron Diffraction

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ChemInform Abstract: Molecular Structures and Conformational Compositions of 1,2-Dichloro-1, 1,2,3,3,3-hexafluoropropane and 1,2-Dibromo-1,1,2,3,3,3- hexafluoropropane, as Determined by Gas-Phase Electron Diffraction and ab initio Calculations.

ChemInform ◽

10.1002/chin.199416029 ◽

2010 ◽

Vol 25 (16) ◽

pp. no-no

Author(s):

L. POSTMYR

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Structures ◽

Gas Phase Electron Diffraction

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Molecular structures of tetraborane(10) derivatives: ab initio calculations for (CH3)2MB3H8 (M = B, Al, Ga or In) and gas-phase electron diffraction studies of (CH3)2AlB3H8 and (CH3)2GaB3H8

Journal of the Chemical Society Dalton Transactions ◽

10.1039/a801554f ◽

1998 ◽

pp. 2155-2162 ◽

Cited By ~ 4

Author(s):

Carole A. Morrison ◽

Bruce A. Smart ◽

Paul T. Brain ◽

David W. H. Rankin ◽

Anthony J. Downs

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Structures ◽

Gas Phase Electron Diffraction

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Conjugated cyclopropyls: the molecular structures and conformations of 1,1-dicyclopropylethene and dicyclopropyl ketone as studied by gas phase electron diffraction and ab initio calculations

Journal of Molecular Structure ◽

10.1016/s0022-2860(99)00087-3 ◽

1999 ◽

Vol 485-486 ◽

pp. 73-85 ◽

Cited By ~ 7

Author(s):

M. Traetteberg ◽

P. Bakken ◽

J.V. Quesada ◽

V.S. Mastryukov ◽

J.E. Boggs

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Structures ◽

Gas Phase Electron Diffraction

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Molecular structures and conformational compositions of 1,2-dichloro-1,1,2,3,3,3-hexafluoropropane and 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane, as determined by gas-phase electron diffraction and ab initio calculations

Journal of Molecular Structure ◽

10.1016/0022-2860(93)07852-n ◽

1994 ◽

Vol 317 (1-2) ◽

pp. 77-88 ◽

Cited By ~ 5

Author(s):

Lasse Postmyr

Keyword(s):

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Molecular Structures ◽

Gas Phase Electron Diffraction

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ChemInform Abstract: The Molecular Structure and Conformational Behaviour of 2-Chloro-1,3- butadiene (Chloroprene) Studied by Gas-Phase Electron Diffraction and ab initio Calculations.

ChemInform ◽

10.1002/chin.199123053 ◽

2010 ◽

Vol 22 (23) ◽

pp. no-no

Author(s):

G. GUNDERSEN ◽

H. G. THOMASSEN ◽

J. E. BOGGS ◽

C. PENG

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Ab Initio Calculations ◽

Ab Initio ◽

Gas Phase ◽

Gas Phase Electron Diffraction

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