Conformational Analysis, Barriers to Internal Rotation, ab Initio Calculations, and Vibrational Assignment of 4-Fluoro-1-butyne

Gamil A. Guirgis; Xiaodong Zhu; Stephen Bell; James R. Durig

doi:10.1021/jp0021796

Conformational Analysis, Barriers to Internal Rotation, ab Initio Calculations, and Vibrational Assignment of 4-Fluoro-1-butyne

The Journal of Physical Chemistry A ◽

10.1021/jp0021796 ◽

2001 ◽

Vol 105 (2) ◽

pp. 363-373 ◽

Cited By ~ 6

Author(s):

Gamil A. Guirgis ◽

Xiaodong Zhu ◽

Stephen Bell ◽

James R. Durig

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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ChemInform Abstract: Conformational Analysis, Barriers to Internal Rotation, Vibrational Assignment, and ab initio Calculations of 1,2-Difluoroethane.

ChemInform ◽

10.1002/chin.199305053 ◽

2010 ◽

Vol 24 (5) ◽

pp. no-no

Author(s):

J. R. DURIG ◽

J. LIU ◽

T. S. LITTLE ◽

V. F. KALASINSKY

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Infrared and Raman spectra, conformational analysis, barriers to internal rotation, vibrational assignment, and ab initio calculations of trans-1,3-dichloropropene

The Journal of Physical Chemistry ◽

10.1021/j100197a014 ◽

1992 ◽

Vol 96 (18) ◽

pp. 7194-7202 ◽

Cited By ~ 8

Author(s):

J. R. Durig ◽

T. G. Costner ◽

T. S. Little ◽

D. T. Durig

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Raman Spectra ◽

Infrared And Raman Spectra ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Conformational analysis, barriers to internal rotation, ab initio calculations and vibrational assignment of fluoroacetone

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(89)80236-3 ◽

1989 ◽

Vol 45 (12) ◽

pp. 1239-1255 ◽

Cited By ~ 17

Author(s):

J.R. Durig ◽

J.A. Hardin ◽

H.V. Phan ◽

T.S. Little

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Conformational analysis, barriers to internal rotation, ab initio calculations and vibrational assignment of 1-chloro-2-fluoroethane

The Journal of Physical Chemistry ◽

10.1021/j100165a015 ◽

1991 ◽

Vol 95 (12) ◽

pp. 4664-4672 ◽

Cited By ~ 22

Author(s):

J. R. Durig ◽

Jian Liu ◽

T. S. Little

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Conformational analysis, barriers to internal rotation, ab initio calculations and vibrational assignment for 1,1-dichloroacetone

Journal of Molecular Structure ◽

10.1016/0022-2860(90)87027-u ◽

1990 ◽

Vol 224 ◽

pp. 323-343 ◽

Cited By ~ 4

Author(s):

J.R. Durig ◽

J.A. Hardin ◽

C.L. Tolley

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Conformational analysis, barriers to internal rotation, vibrational assignment, and ab initio calculations of 1,2-difluoroethane

The Journal of Physical Chemistry ◽

10.1021/j100200a006 ◽

1992 ◽

Vol 96 (21) ◽

pp. 8224-8233 ◽

Cited By ~ 73

Author(s):

J. R. Durig ◽

Jian Liu ◽

T. S. Little ◽

V. F. Kalasinsky

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Conformational analysis, barriers to internal rotation, vibrational assignment and ab initio calculations of chloroacetone

Spectrochimica Acta Part A Molecular Spectroscopy ◽

10.1016/0584-8539(91)80183-j ◽

1991 ◽

Vol 47 (1) ◽

pp. 105-123 ◽

Cited By ~ 12

Author(s):

J.R. Durig ◽

Jie Lin ◽

C.L. Tolley ◽

T.S. Little

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Conformational Analysis, Barriers to Internal Rotation, Vibrational Assignment, and ab Initio Calculations of 3-Fluoro-1-butene

The Journal of Physical Chemistry A ◽

10.1021/jp003763h ◽

2001 ◽

Vol 105 (17) ◽

pp. 4216-4225 ◽

Cited By ~ 5

Author(s):

James R. Durig ◽

Seung Won Hur ◽

Todor K. Gounev ◽

Fusheng Feng ◽

Gamil A. Guirgis

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

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Conformational analysis, barriers to internal rotation and inversion, vibrational assignment, ab initio calculations, and r0 structural parameters of ethylmethylamine

Journal of Molecular Structure ◽

10.1016/s0022-2860(02)00340-x ◽

2002 ◽

Vol 641 (2-3) ◽

pp. 207-224 ◽

Cited By ~ 11

Author(s):

James R Durig ◽

Chao Zheng ◽

Wouter A Herrebout ◽

B.J van der Veken

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Structural Parameters ◽

Vibrational Assignment ◽

Barriers To Internal Rotation ◽

And Inversion ◽

R0 Structural Parameters

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ChemInform Abstract: Conformational Analysis, Barriers to Internal Rotation, ab initio Calculations, and Vibrational Assignment of 1-Chloro-2-fluoroethane

ChemInform ◽

10.1002/chin.199137049 ◽

2010 ◽

Vol 22 (37) ◽

pp. no-no

Author(s):

J. R. DURIG ◽

J. LIU ◽

T. S. LITTLE

Keyword(s):

Conformational Analysis ◽

Ab Initio Calculations ◽

Ab Initio ◽

Internal Rotation ◽

Vibrational Assignment ◽

Barriers To Internal Rotation

Download Full-text