Conformational Stability from Variable Temperature Infrared Spectra of Xenon Solutions,r0Structural Parameters, and Ab Initio Calculations of Cyclopropylisocyanate

James R. Durig; Sarah Xiaohua Zhou; Gamil A. Guirgis; Charles J. Wurrey

doi:10.1021/jp108879u

Conformational Stability from Variable Temperature Infrared Spectra of Xenon Solutions,r0Structural Parameters, and Ab Initio Calculations of Cyclopropylisocyanate

The Journal of Physical Chemistry A ◽

10.1021/jp108879u ◽

2011 ◽

Vol 115 (11) ◽

pp. 2297-2307 ◽

Cited By ~ 4

Author(s):

James R. Durig ◽

Sarah Xiaohua Zhou ◽

Gamil A. Guirgis ◽

Charles J. Wurrey

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Variable Temperature ◽

Conformational Stability ◽

Xenon Solutions

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Conformational stability from variable temperature infrared spectra of krypton and xenon solutions, ab initio calculations, vibrational assignment and r0 structural parameters of vinylcyclopropane

Journal of Molecular Structure ◽

10.1016/j.molstruc.2004.11.071 ◽

2005 ◽

Vol 744-747 ◽

pp. 3-17 ◽

Cited By ~ 3

Author(s):

James R. Durig ◽

Chao Zheng ◽

Hamondeh Deeb ◽

Gamil A. Guirgis

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Variable Temperature ◽

Structural Parameters ◽

Conformational Stability ◽

Vibrational Assignment ◽

Xenon Solutions ◽

R0 Structural Parameters

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Conformational stability, structural parameters and virbrational assignment from variable temperature infrared spectra of krypton solutions and ab initio calculations of ethylisothiocyanate

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2007.01.001 ◽

2007 ◽

Vol 68 (3) ◽

pp. 783-795 ◽

Cited By ~ 4

Author(s):

James R. Durig ◽

Chao Zheng

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Variable Temperature ◽

Structural Parameters ◽

Conformational Stability

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Conformational stability from variable temperature infrared spectra of krypton solutions, ab initio calculations, vibrational assignment, and r0 structural parameters of 1,3-difluoropropane

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2003.08.024 ◽

2004 ◽

Vol 60 (7) ◽

pp. 1659-1676 ◽

Cited By ~ 4

Author(s):

James R Durig ◽

Chao Zheng ◽

Michael J Williams ◽

Howard D Stidham ◽

Gamil A Guirgis

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Variable Temperature ◽

Structural Parameters ◽

Conformational Stability ◽

Vibrational Assignment ◽

R0 Structural Parameters

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Conformational stability from variable temperature infrared spectra of krypton solutions, ab initio calculations, and vibrational assignment of bromocyclopentane

Journal of Molecular Structure ◽

10.1016/s0022-2860(02)00539-2 ◽

2003 ◽

Vol 645 (2-3) ◽

pp. 89-107 ◽

Cited By ~ 12

Author(s):

H.M Badawi ◽

W.A Herrebout ◽

T.A Mohamed ◽

B.J van der Veken ◽

J.F Sullivan ◽

...

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Variable Temperature ◽

Conformational Stability ◽

Vibrational Assignment

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Conformational stability of ethylenediamine from temperature dependent infrared spectra of liquid xenon solutions, r0 structural parameters, ab initio calculations, and vibrational assignments

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.09.007 ◽

2010 ◽

Vol 984 (1-3) ◽

pp. 58-67 ◽

Cited By ~ 7

Author(s):

James R. Durig ◽

Savitha S. Panikar ◽

Takuya Iwata ◽

Todor K. Gounev

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Structural Parameters ◽

Conformational Stability ◽

Liquid Xenon ◽

Temperature Dependent ◽

Vibrational Assignments ◽

Xenon Solutions ◽

R0 Structural Parameters

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Conformational stability, vibrational assignments, and normal coordinate analysis from variable temperature FT-IR spectra of xenon solutions and ab initio calculations of epibromohydrin

Journal of Molecular Structure ◽

10.1016/s0022-2860(98)00667-x ◽

1999 ◽

Vol 478 (1-3) ◽

pp. 57-72 ◽

Cited By ~ 6

Author(s):

James R. Durig ◽

Seung Won Hur ◽

T.K. Gounev

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Variable Temperature ◽

Conformational Stability ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

Vibrational Assignments ◽

Ft Ir ◽

Xenon Solutions

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Conformational stability of cyclobutanol from temperature dependent infrared spectra of xenon solutions, r0 structural parameters, ab initio calculations and vibrational assignment

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.04.010 ◽

2008 ◽

Vol 71 (4) ◽

pp. 1379-1389 ◽

Cited By ~ 15

Author(s):

James R. Durig ◽

Arindam Ganguly ◽

Ahmed M. El Defrawy ◽

Todor K. Gounev ◽

Gamil A. Guirgis

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Structural Parameters ◽

Conformational Stability ◽

Vibrational Assignment ◽

Temperature Dependent ◽

Xenon Solutions ◽

R0 Structural Parameters

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Conformational Stabilities of 1,1-Dicyclopropylethene Determined from Variable-Temperature Infrared Spectra of Xenon Solutions and ab Initio Calculations

The Journal of Physical Chemistry A ◽

10.1021/jp040609c ◽

2005 ◽

Vol 109 (8) ◽

pp. 1650-1661 ◽

Cited By ~ 3

Author(s):

James R. Durig ◽

Chao Zheng ◽

Gamil A. Guirgis ◽

Charles J. Wurrey

Keyword(s):

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Variable Temperature ◽

Xenon Solutions

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Raman and infrared spectra, conformational stability from temperature-dependent Fourier transform infrared spectra of xenon solutions,ab initio calculations and vibrational assignment of 4-chlorobut-1-yne

Journal of Raman Spectroscopy ◽

10.1002/jrs.740 ◽

2001 ◽

Vol 32 (9) ◽

pp. 757-769 ◽

Cited By ~ 4

Author(s):

James R. Durig ◽

Barry R. Drew ◽

Gamil A. Guirgis

Keyword(s):

Fourier Transform ◽

Ab Initio Calculations ◽

Ab Initio ◽

Infrared Spectra ◽

Conformational Stability ◽

Fourier Transform Infrared ◽

Vibrational Assignment ◽

Temperature Dependent ◽

Fourier Transform Infrared Spectra ◽

Xenon Solutions

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Conformational stability from variable temperature FT-IR spectra of xenon solutions and ab initio calculations of trans 3-pentenenitrile and 3-methyl-3-butene nitrile

Journal of Molecular Structure ◽

10.1016/s0022-2860(00)00910-8 ◽

2001 ◽

Vol 563-564 ◽

pp. 551-554 ◽

Cited By ~ 4

Author(s):

G.A Guirgis ◽

S Shen ◽

B.R Drew ◽

J.R Durig

Keyword(s):

Ir Spectra ◽

Ab Initio Calculations ◽

Ab Initio ◽

Variable Temperature ◽

Conformational Stability ◽

Ft Ir ◽

Xenon Solutions

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