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FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of butylated hydroxy toluene
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
◽
10.1016/j.saa.2011.03.034
◽
2011
◽
Vol 79
(3)
◽
pp. 562-569
◽
Cited By ~ 31
Author(s):
P. Chinna Babu
◽
N. Sundaraganesan
◽
Ö. Dereli
◽
E. Türkkan
Keyword(s):
Raman Spectra
◽
Vibrational Spectra
◽
Density Functional
◽
Molecular Geometry
◽
Ft Ir
◽
Ft Raman
◽
Density Functional Computations
Download Full-text
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FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra, molecular geometry, conformational stability and some molecular properties of 1-Bromo-2,3-dimethoxynaphthalene
Journal of Molecular Structure
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10.1016/j.molstruc.2014.04.022
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2014
◽
Vol 1074
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pp. 51-61
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Cited By ~ 3
Author(s):
G. Mariappan
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N. Sundaraganesan
Keyword(s):
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◽
Vibrational Spectra
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Conformational Stability
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Molecular Properties
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Ft Ir
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Ft Raman
◽
Density Functional Computations
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FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of 2-hydroxyquinoxaline
Journal of Molecular Structure
◽
10.1016/j.molstruc.2009.10.035
◽
2010
◽
Vol 963
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pp. 194-201
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Cited By ~ 9
Author(s):
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◽
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Density Functional
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Molecular Geometry
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Ft Ir
◽
Ft Raman
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Density Functional Computations
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FT-IR and FT-Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometry, atomic charges and some molecular properties of the biomolecule 5-iodouracil
Journal of Molecular Structure THEOCHEM
◽
10.1016/j.theochem.2009.10.003
◽
2010
◽
Vol 940
(1-3)
◽
pp. 29-44
◽
Cited By ~ 17
Author(s):
V.K. Rastogi
◽
M. Alcolea Palafox
◽
A. Guerrero-Martínez
◽
G. Tardajos
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J.K. Vats
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...
Keyword(s):
Ab Initio
◽
Raman Spectra
◽
Vibrational Spectra
◽
Density Functional
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Molecular Geometry
◽
Molecular Properties
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Atomic Charges
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Ft Ir
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Ft Raman
◽
Density Functional Computations
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FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of biomolecule 5-aminouracil
Chemical Physics
◽
10.1016/j.chemphys.2007.07.032
◽
2007
◽
Vol 340
(1-3)
◽
pp. 17-31
◽
Cited By ~ 86
Author(s):
M. Alcolea Palafox
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G. Tardajos
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V.K. Rastogi
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D. Mishra
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...
Keyword(s):
Raman Spectra
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Vibrational Spectra
◽
Density Functional
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Molecular Geometry
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Ft Ir
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Ft Raman
◽
Density Functional Computations
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FTIR and FT-Raman spectra and density functional computations of the vibrational spectra, molecular geometry and atomic charges of the biomolecule: 5-bromouracil
Journal of Raman Spectroscopy
◽
10.1002/jrs.1725
◽
2007
◽
Vol 38
(10)
◽
pp. 1227-1241
◽
Cited By ~ 66
Author(s):
V. K. Rastogi
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M. A. Palafox
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L. Mittal
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N. Peica
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W. Kiefer
◽
...
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Raman Spectra
◽
Vibrational Spectra
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Density Functional
◽
Molecular Geometry
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Atomic Charges
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Ft Raman
◽
Density Functional Computations
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FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular conformational analysis of 2,5-di-tert-butyl-hydroquinone
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
◽
10.1016/j.saa.2011.08.010
◽
2011
◽
Vol 83
(1)
◽
pp. 165-174
◽
Cited By ~ 16
Author(s):
N. Subramanian
◽
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◽
Ö. Dereli
◽
E. Türkkan
Keyword(s):
Conformational Analysis
◽
Raman Spectra
◽
Vibrational Spectra
◽
Density Functional
◽
Tert Butyl
◽
Ft Ir
◽
Ft Raman
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Density Functional Computations
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FT-IR and Raman spectra, ab initio and density functional computations of the vibrational spectra, molecular geometries and atomic charges of uracil and 5-methyluracil (thymine)
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
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10.1016/j.saa.2014.08.060
◽
2015
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Vol 137
◽
pp. 625-640
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Cited By ~ 16
Author(s):
J.S. Singh
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Ab Initio
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Raman Spectra
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Ir And Raman Spectra
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Ir And Raman
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Ab initio, density functional computations, FT-IR, FT-Raman and molecular geometry of 4-morpholine carbonitrile
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
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10.1016/j.saa.2012.09.081
◽
2013
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Vol 101
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pp. 148-155
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Cited By ~ 5
Author(s):
R. John Xavier
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S. Ashok Raj
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Density Functional
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Ft Ir
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FT-IR, FT-Raman, NMR spectra, density functional computations of the vibrational assignments (for monomer and dimer) and molecular geometry of anticancer drug 7-amino-2-methylchromone
Journal of Molecular Structure
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10.1016/j.molstruc.2014.01.064
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2014
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Vol 1063
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pp. 192-202
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Cited By ~ 8
Author(s):
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N. Sundaraganesan
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Density Functional
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Nmr Spectra
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Molecular Geometry
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Ft Raman
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FT-IR, FT-Raman spectra, and DFT computations of the vibrational spectra and molecular geometry of chlorzoxazone
Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy
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10.1016/j.saa.2014.02.156
◽
2014
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Vol 126
◽
pp. 339-348
◽
Cited By ~ 2
Author(s):
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Raman Spectra
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Vibrational Spectra
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Molecular Geometry
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Dft Computations
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Ft Ir
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Ft Raman
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