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 ◽

Author(s):

N. Subramanian ◽

N. Sundaraganesan ◽

Ö. Dereli ◽

E. Türkkan

Keyword(s):

Conformational Analysis ◽

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Ft Ir ◽

Ft Raman ◽

Density Functional Computations

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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 ◽

10.1016/j.molstruc.2014.04.022 ◽

2014 ◽

Vol 1074 ◽

pp. 51-61 ◽

Author(s):

G. Mariappan ◽

N. Sundaraganesan

Keyword(s):

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Conformational Stability ◽

Molecular Geometry ◽

Molecular Properties ◽

Ft Ir ◽

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 (2-3) ◽

pp. 194-201 ◽

Author(s):

Şenay Yurdakul ◽

Turgay Polat

Keyword(s):

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Molecular Geometry ◽

Ft Ir ◽

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 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 ◽

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

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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 ◽

Author(s):

V.K. Rastogi ◽

M. Alcolea Palafox ◽

A. Guerrero-Martínez ◽

G. Tardajos ◽

J.K. Vats ◽

...

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Molecular Geometry ◽

Molecular Properties ◽

Atomic Charges ◽

Ft Ir ◽

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 ◽

Author(s):

M. Alcolea Palafox ◽

G. Tardajos ◽

A. Guerrero-Martínez ◽

V.K. Rastogi ◽

D. Mishra ◽

...

Keyword(s):

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Molecular Geometry ◽

Ft Ir ◽

Ft Raman ◽

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 ◽

10.1016/j.saa.2014.08.060 ◽

2015 ◽

Vol 137 ◽

pp. 625-640 ◽

Author(s):

J.S. Singh

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Ir And Raman Spectra ◽

Atomic Charges ◽

Ft Ir ◽

Ir And 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 ◽

Author(s):

V. K. Rastogi ◽

M. A. Palafox ◽

L. Mittal ◽

N. Peica ◽

W. Kiefer ◽

...

Keyword(s):

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Molecular Geometry ◽

Atomic Charges ◽

Ft Raman ◽

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-halogenated uracils (5-X-uracils; X=F, Cl, Br, I)

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.08.004 ◽

2014 ◽

Vol 117 ◽

pp. 502-518 ◽

Author(s):

J.S. Singh

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Vibrational Spectra ◽

Density Functional ◽

Ir And Raman Spectra ◽

Atomic Charges ◽

Ft Ir ◽

Ir And Raman ◽

Density Functional Computations

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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 ◽

10.1016/j.saa.2012.09.081 ◽

2013 ◽

Vol 101 ◽

pp. 148-155 ◽

Author(s):

R. John Xavier ◽

S. Ashok Raj

Keyword(s):

Ab Initio ◽

Density Functional ◽

Molecular Geometry ◽

Ft Ir ◽

Ft Raman ◽

Density Functional Computations

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Vibrational spectra (FT-IR and FT-Raman), molecular structure, natural bond orbital, and TD-DFT analysis of l-Asparagine Monohydrate by Density Functional Theory approach

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.05.040 ◽

2014 ◽

Vol 133 ◽

pp. 190-200 ◽

Author(s):

S. Sylvestre ◽

S. Sebastian ◽

S. Edwin ◽

M. Amalanathan ◽

S. Ayyapan ◽

...

Keyword(s):

Molecular Structure ◽

Density Functional Theory ◽

Vibrational Spectra ◽

Density Functional ◽

Natural Bond Orbital ◽

Theory Approach ◽

Functional Theory ◽

Td Dft ◽

Ft Ir ◽

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