The molecular structure and vibrational spectra of 4-bromo-2-(((5-methylpyridin-2-yl)imino)methyl)phenol by density functional method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2018.10.079 ◽

2019 ◽

Vol 1179 ◽

pp. 540-548

Author(s):

Erdal Yabalak ◽

Hakan Dal ◽

Hakan Arslan

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method

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Molecular structure and vibrational spectra of 4-phenylsemicarbazide by density functional method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2011.03.054 ◽

2011 ◽

Vol 994 (1-3) ◽

pp. 379-386 ◽

Author(s):

Ö. Dereli ◽

S. Sudha ◽

N. Sundaraganesan

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method

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Molecular structure and vibrational spectra of 7-Ethoxycoumarin by density functional method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2013.06.026 ◽

2013 ◽

Vol 1049 ◽

pp. 220-226 ◽

Author(s):

E. Karakaş Sarıkaya ◽

Ö. Dereli ◽

Y. Erdoğdu ◽

M.T. Güllüoğlu

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method

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Molecular structure and vibrational spectra of 7-Methoxy-4-methylcoumarin by density functional method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2013.08.024 ◽

2013 ◽

Vol 1052 ◽

pp. 214-220 ◽

Author(s):

E. Karakaş Sarıkaya ◽

Ö. Dereli

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method

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Molecular structure and vibrational spectra of 3-amino-5-hydroxypyrazole by density functional method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.06.044 ◽

2009 ◽

Vol 71 (5) ◽

pp. 1776-1782 ◽

Author(s):

J. Swaminathan ◽

M. Ramalingam ◽

N. Sundaraganesan

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method

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Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p-methylphenylthiosemicarbazone by density functional method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2014.06.018 ◽

2015 ◽

Vol 134 ◽

pp. 453-464 ◽

Author(s):

E. Elamurugu Porchelvi ◽

S. Muthu

Keyword(s):

Molecular Structure ◽

Thermodynamic Analysis ◽

Vibrational Spectra ◽

Density Functional ◽

Natural Bond Orbital ◽

Density Functional Method ◽

Functional Method ◽

Normal Coordinate Analysis ◽

Normal Coordinate ◽

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Molecular structure and vibrational spectra of 3-chloro-4-fluoro benzonitrile by ab initio HF and density functional method

Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy ◽

10.1016/j.saa.2008.03.019 ◽

2008 ◽

Vol 71 (3) ◽

pp. 1134-1139 ◽

Author(s):

N. Sundaraganesan ◽

C. Meganathan ◽

B. Dominic Joshua ◽

P. Mani ◽

A. Jayaprakash

Keyword(s):

Molecular Structure ◽

Ab Initio ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method ◽

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Molecular structure, vibrational spectra and NBO analysis of phenylisothiocyanate by density functional method

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2008.05.013 ◽

2008 ◽

Vol 863 (1-3) ◽

pp. 44-49 ◽

Author(s):

P. Mani ◽

H. Umamaheswari ◽

B. Dominic Joshua ◽

N. Sundaraganesan

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Nbo Analysis ◽

Functional Method

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Molecular structure, vibrational spectra, NBO analysis, first hyperpolarizability, and HOMO–LUMO studies of 2-amino-4-hydroxypyrimidine by density functional method

Journal of Molecular Structure ◽

10.1016/j.molstruc.2014.12.047 ◽

2015 ◽

Vol 1085 ◽

pp. 137-146 ◽

Author(s):

S. Jeyavijayan

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Nbo Analysis ◽

Functional Method ◽

First Hyperpolarizability ◽

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Molecular Structure and Vibrational Spectra of Alpha-benzoinoxime by Density Functional Method

Оптика и спектроскопия ◽

10.7868/s0030403414020056 ◽

2014 ◽

Vol 116 (2) ◽

pp. 205-213

Author(s):

Ö. Dereli ◽

Y. Erdogdu ◽

M. T. Gulluoglu ◽

N. Sundaraganesan ◽

E. Türkkan ◽

...

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method

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Molecular structure and vibrational spectra of alpha-benzoinoxime by density functional method

Optics and Spectroscopy ◽

10.1134/s0030400x14020052 ◽

2014 ◽

Vol 116 (2) ◽

pp. 187-195 ◽

Author(s):

Ö. Dereli ◽

Y. Erdogdu ◽

M. T. Gulluoglu ◽

N. Sundaraganesan ◽

E. Türkkan ◽

...

Keyword(s):

Molecular Structure ◽

Vibrational Spectra ◽

Density Functional ◽

Density Functional Method ◽

Functional Method

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