Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoic acid using ab initio HF and DFT method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.09.014 ◽

2012 ◽

Vol 99 ◽

pp. 90-96 ◽

Cited By ~ 9

Author(s):

A. Prabakaran ◽

S. Muthu

Keyword(s):

Ab Initio ◽

Vibrational Spectroscopy ◽

Dft Method ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

Ft Ir ◽

Ab Initio Hf ◽

Ft Raman

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Normal coordinate analysis and vibrational spectroscopy (FT-IR and FT-Raman) studies of 5-methyl-N-[4-(trifluoromethyl) phenyl]-isoxazole-4-carboxamide using density functional method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.04.173 ◽

2014 ◽

Vol 132 ◽

pp. 142-151 ◽

Cited By ~ 2

Author(s):

R. Shahidha ◽

S. Muthu ◽

E. Elamurugu Porchelvi ◽

M. Govindarajan

Keyword(s):

Vibrational Spectroscopy ◽

Density Functional ◽

Density Functional Method ◽

Functional Method ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

Ft Ir ◽

Ft Raman

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FT-IR and FT-Raman spectra, normal coordinate analysis and ab initio computations of Trimesic acid

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.01.061 ◽

2014 ◽

Vol 124 ◽

pp. 535-547 ◽

Cited By ~ 23

Author(s):

G. Mahalakshmi ◽

V. Balachandran

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

Trimesic Acid ◽

Ft Ir ◽

Ab Initio Computations ◽

Ft Raman

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Normal coordinate analysis, molecular structure, vibrational, electronic spectra and NMR investigation of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione by ab initio HF and DFT method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.05.081 ◽

2015 ◽

Vol 135 ◽

pp. 1145-1155 ◽

Cited By ~ 17

Author(s):

Khaled Bahgat ◽

Safwan Fraihat

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Electronic Spectra ◽

Dft Method ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

Ab Initio Hf

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Normal coordinate analysis, molecular structure, vibrational and electronic spectral investigation of 7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione by ab initio HF and DFT method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.09.004 ◽

2014 ◽

Vol 118 ◽

pp. 578-588 ◽

Cited By ~ 8

Author(s):

A. Prabakaran ◽

S. Muthu

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Dft Method ◽

Normal Coordinate Analysis ◽

Spectral Investigation ◽

Normal Coordinate ◽

Ab Initio Hf

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Ab initio HF and DFT simulations, FT-IR and FT-Raman vibrational analysis of α-chlorotoluene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2010.04.043 ◽

2010 ◽

Vol 77 (1) ◽

pp. 150-159 ◽

Cited By ~ 43

Author(s):

P.B. Nagabalasubramanian ◽

S. Periandy ◽

S. Mohan

Keyword(s):

Ab Initio ◽

Vibrational Analysis ◽

Ft Ir ◽

Dft Simulations ◽

Ab Initio Hf ◽

Ft Raman

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FT-IR, FT-Raman spectra and ab initio HF and DFT calculations of 4-N,N′-dimethylamino pyridine

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.02.016 ◽

2008 ◽

Vol 71 (3) ◽

pp. 898-906 ◽

Cited By ~ 114

Author(s):

N. Sundaraganesan ◽

S. Kalaichelvan ◽

C. Meganathan ◽

B. Dominic Joshua ◽

J. Cornard

Keyword(s):

Dft Calculations ◽

Ab Initio ◽

Raman Spectra ◽

Ft Ir ◽

Hf And Dft Calculations ◽

Ab Initio Hf ◽

Ft Raman

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FTIR and FT Raman spectra, vibrational assignments, ab initio, DFT and normal coordinate analysis of α,α dichlorotoluene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2009.02.044 ◽

2009 ◽

Vol 73 (2) ◽

pp. 277-280 ◽

Cited By ~ 46

Author(s):

P.B. Nagabalasubramanian ◽

S. Periandy ◽

S. Mohan ◽

M. Govindarajan

Keyword(s):

Ab Initio ◽

Raman Spectra ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

Vibrational Assignments ◽

Ft Raman ◽

Ab Initio Dft

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Ab initio HF, DFT and experimental (FT-IR) investigation of vibrational spectroscopy of 3-(2-(4-isopropylpiperazin-1-yl)-2-oxoethyl)-6-(4-methoxybenzoyl)benzo[d]thiazol-2(3H)-one

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2012.08.083 ◽

2013 ◽

Vol 101 ◽

pp. 204-217 ◽

Cited By ~ 5

Author(s):

Erol Taşal ◽

Mustafa Kumalar

Keyword(s):

Ab Initio ◽

Vibrational Spectroscopy ◽

Ft Ir ◽

Ab Initio Hf

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FT-IR, FT-Raman, ab initio, HF and DFT studies, NBO, HOMO–LUMO and electronic structure calculations on 4-chloro-3-nitrotoluene

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2011.12.067 ◽

2012 ◽

Vol 89 ◽

pp. 137-148 ◽

Cited By ~ 52

Author(s):

M. Govindarajan ◽

M. Karabacak ◽

A. Suvitha ◽

S. Periandy

Keyword(s):

Electronic Structure ◽

Ab Initio ◽

Electronic Structure Calculations ◽

Dft Studies ◽

Ft Ir ◽

Ab Initio Hf ◽

Homo Lumo ◽

Structure Calculations ◽

Ft Raman

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The spectroscopic (FT-IR, FT-Raman and NMR), NCA, Fukui function analysis first order hyperpolarizability, TGA of 6-chloro-3,4dihydro-2H-1,2,4-benzothiazine-7-sulphonamide1,1-dioxide by ab initio HF and Density Functional method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2013.12.037 ◽

2014 ◽

Vol 123 ◽

pp. 230-240 ◽

Cited By ~ 6

Author(s):

E. Elamurugu Porchelvi ◽

S. Muthu

Keyword(s):

Ab Initio ◽

Density Functional ◽

Function Analysis ◽

Density Functional Method ◽

Functional Method ◽

Fukui Function ◽

First Order ◽

Ft Ir ◽

Ab Initio Hf ◽

Ft Raman

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