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Synthesis, characteristics and antimicrobial activity of ZnO nanoparticles

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-06, Vol.144, p.17-22

2015

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Molecular structure analysis and spectroscopic characterization of 9-methoxy-2H-furo[3,2-g]chromen-2-one with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.137, p.721-729

2015

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Vibrational spectra (FT-IR, FT-Raman), frontier molecular orbital, first hyperpolarizability, NBO analysis and thermodynamics properties of Piroxicam by HF and DFT methods

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-03, Vol.138, p.447-459

2015

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Molecular geometry, conformational, vibrational spectroscopic, molecular orbital and Mulliken charge analysis of 2-acetoxybenzoic acid

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-09, Vol.130, p.329-336

2014

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Spectroscopic (FT-IR, FT-Raman, NMR and UV–Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-11, Vol.132, p.130-141

2014

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Experimental and theoretical studies of (FT-IR, FT-Raman, UV–Visible and DFT) 4-(6-methoxynaphthalen-2-yl) butan-2-one

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-10, Vol.149, p.800-811

2015

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DFT studies on vibrational spectra, HOMO–LUMO, NBO and thermodynamic function analysis of cyanuric fluoride

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.136, p.494-503

2015

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Molecular structure, Mulliken charge, frontier molecular orbital and first hyperpolarizability analysis on 2-nitroaniline and 4-methoxy-2-nitroaniline using density functional theory

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-04, Vol.124, p.199-202

2014

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FTIR spectra and mechanical strength analysis of some selected rubber derivatives

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2007-10, Vol.68 (2), p.323-330

2007

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Spectroscopic and structural investigations on modafinil by FT-IR, FT-Raman, NMR, UV–Vis and DFT methods

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2020-01, Vol.224, p.117449, Article 117449

2020

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Preparation and Characterization of Whey Protein Film Incorporated with TiO2 Nanoparticles

Journal of food science, 2009-09, Vol.74 (7), p.N50-N56

2009

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Density functional theory studies on molecular structure, vibrational spectra and electronic properties of cyanuric acid

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-03, Vol.138, p.711-722

2015

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Molecular structure and vibrational spectroscopic investigation of melamine using DFT theory calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-04, Vol.123, p.392-401

2014

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Molecular structure and vibrational analysis of Trifluoperazine by FT-IR, FT-Raman and UV–Vis spectroscopies combined with DFT calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.137, p.1184-1193

2015

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Vibrational spectral investigation on xanthine and its derivatives—theophylline, caffeine and theobromine

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2005, Vol.61 (1), p.117-127

2005

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Experimental and theoretical study of ornidazole

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2016-01, Vol.153, p.496-504

2016

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DNA Repair Gene (XRCC1) Polymorphism (Arg399Gln) Associated with Schizophrenia in South Indian Population: A Genotypic and Molecular Dynamics Study

PloS one, 2016-01, Vol.11 (1), p.e0147348-e0147348

2016

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Studies on crystal growth, vibrational, optical, thermal and dielectric properties of new organic nonlinear optical crystal: Bis (2,3-dimethoxy-10-oxostrychnidinium) phthalate nonahydrate single crystal

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-10, Vol.131, p.114-124

2014

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Spectroscopic characterization of natural calcite minerals

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2007-11, Vol.68 (3), p.656-664

2007

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Studies of the molecular geometry, vibrational spectra, Frontier molecular orbital, nonlinear optical and thermodynamics properties of Aceclofenac by quantum chemical calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-05, Vol.125, p.239-251

2014

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Growth, nonlinear optical, thermal, dielectric and laser damage threshold studies of semiorganic crystal: Monohydrate piperazine hydrogen phosphate

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-02, Vol.102, p.379-385

2013

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Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-09, Vol.130, p.621-633

2014

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Experimental and theoretical study of p-nitroacetanilide

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-01, Vol.117, p.557-567

2014

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Combined spectroscopic and DFT studies on 6-bromo-4-chloro-3-formyl coumarin

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-03, Vol.139, p.505-514

2015

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Vibrational assignment, HOMO–LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-09, Vol.130, p.466-479

2014

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Synthesis, characteristics and antimicrobial activity of ZnO nanoparticles

Molecular structure analysis and spectroscopic characterization of 9-methoxy-2H-furo[3,2-g]chromen-2-one with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations

Vibrational spectra (FT-IR, FT-Raman), frontier molecular orbital, first hyperpolarizability, NBO analysis and thermodynamics properties of Piroxicam by HF and DFT methods

Molecular geometry, conformational, vibrational spectroscopic, molecular orbital and Mulliken charge analysis of 2-acetoxybenzoic acid

Spectroscopic (FT-IR, FT-Raman, NMR and UV–Visible) and quantum chemical studies of molecular geometry, Frontier molecular orbital, NLO, NBO and thermodynamic properties of salicylic acid

Experimental and theoretical studies of (FT-IR, FT-Raman, UV–Visible and DFT) 4-(6-methoxynaphthalen-2-yl) butan-2-one

DFT studies on vibrational spectra, HOMO–LUMO, NBO and thermodynamic function analysis of cyanuric fluoride

Molecular structure, Mulliken charge, frontier molecular orbital and first hyperpolarizability analysis on 2-nitroaniline and 4-methoxy-2-nitroaniline using density functional theory

FTIR spectra and mechanical strength analysis of some selected rubber derivatives

Spectroscopic and structural investigations on modafinil by FT-IR, FT-Raman, NMR, UV–Vis and DFT methods

Preparation and Characterization of Whey Protein Film Incorporated with TiO2 Nanoparticles

Density functional theory studies on molecular structure, vibrational spectra and electronic properties of cyanuric acid

Molecular structure and vibrational spectroscopic investigation of melamine using DFT theory calculations

Molecular structure and vibrational analysis of Trifluoperazine by FT-IR, FT-Raman and UV–Vis spectroscopies combined with DFT calculations

Vibrational spectral investigation on xanthine and its derivatives—theophylline, caffeine and theobromine

Experimental and theoretical study of ornidazole

DNA Repair Gene (XRCC1) Polymorphism (Arg399Gln) Associated with Schizophrenia in South Indian Population: A Genotypic and Molecular Dynamics Study

Studies on crystal growth, vibrational, optical, thermal and dielectric properties of new organic nonlinear optical crystal: Bis (2,3-dimethoxy-10-oxostrychnidinium) phthalate nonahydrate single crystal

Spectroscopic characterization of natural calcite minerals

Studies of the molecular geometry, vibrational spectra, Frontier molecular orbital, nonlinear optical and thermodynamics properties of Aceclofenac by quantum chemical calculations

Growth, nonlinear optical, thermal, dielectric and laser damage threshold studies of semiorganic crystal: Monohydrate piperazine hydrogen phosphate

Natural bond orbital analysis, electronic structure and vibrational spectral analysis of N-(4-hydroxyl phenyl) acetamide: A density functional theory

Experimental and theoretical study of p-nitroacetanilide

Combined spectroscopic and DFT studies on 6-bromo-4-chloro-3-formyl coumarin

Vibrational assignment, HOMO–LUMO and NBO analysis of (2S)-2-[(2-{[(2S)-1-hydroxybutan-2-yl]amino}ethyl)amino]butan-1-ol by density functional theory

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