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An investigations on the molecular structure, FT-IR, FT-Raman and NMR spectra of 1-(p-tolylsulfonyl) pyrrole by theoretical and experimental approach

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-07, Vol.146, p.88-96

2015

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Structural conformations and vibrational spectral study of chloroflavone with density functional theoretical simulations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2010-07, Vol.76 (2), p.130-136

2010

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Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-01, Vol.135, p.1011-1018

2015

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FT-IR, FT-Raman spectra and scaled quantum mechanical study of 4-amino-1-benzylpiperidine

Journal of molecular structure, 2011-07, Vol.998 (1), p.69-78

2011

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FT-IR and Raman Spectroscopy and Computation of 5-Methylfurfural

Journal of applied spectroscopy, 2018-07, Vol.85 (3), p.517-525

2018

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DFT simulation, quantum chemical electronic structure, spectroscopic and structure-activity investigations of 4-acetylpyridine

Journal of molecular structure, 2018-06, Vol.1161, p.55-65

2018

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Synthesis, spectroscopic and DFT investigation of dimethyl-2-(5-acetyl-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(triphenylphosphinylidene)succinate

Journal of molecular structure, 2011-01, Vol.985 (1), p.120-127

2011

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Electronic [UV–Visible] and vibrational [FT-IR] investigation and NMR spectroscopic analysis of some halogen substituted chromone (6-Fluorochromone, 6-Chlorochromone, 6-Bromochromone)

Journal of molecular structure, 2019-05, Vol.1184, p.364-374

2019

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β-Ga2O3 nanoflakes/p-Si heterojunction self-powered photodiodes

Materials today communications, 2020-09, Vol.24, p.101105, Article 101105

2020

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DFT, FT-Raman, FT-IR and FT-NMR studies of 4-phenylimidazole

Journal of molecular structure, 2011-03, Vol.990 (1), p.14-20

2011

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An investigation into the structural, electronic, and non-linear optical properties in CN (N = 20, 24, 26, 28, 30, 32, 34, 36, and 38) fullerene cages

Journal of molecular modeling, 2022, Vol.28 (11), p.352-352, Article 352

2022

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

Journal of molecular structure, 2013-10, Vol.1049, p.220-226

2013

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FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole

Optics and spectroscopy, 2013-04, Vol.114 (4), p.525-536

2013

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Theoretical investigations on the molecular structure and vibrational spectral analysis of 4-methyl 2-phenylimidazole

Optics and spectroscopy, 2012-12, Vol.113 (6), p.596-606

2012

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Molecular structure, vibrational spectral investigation and the confirmation analysis of 4-Methylesculetin molecule

Optics and spectroscopy, 2014-03, Vol.116 (3), p.348-359

2014

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Study on molecular structure and vibrational spectra of (triphenylphosphoranylidene) acetaldehyde using DFT: A combined experimental and quantum chemical approach

Journal of molecular structure, 2012-03, Vol.1012, p.105-112

2012

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DFT simulations, FT-IR, FT-raman, and FT-NMR spectra of 4-(4-chlorophenyl)-1H-imidazole molecules

Optics and spectroscopy, 2012-07, Vol.113 (1), p.23-32

2012

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Vibrational spectral and quantum chemical investigations of tert-butyl-hydroquinone

Journal of molecular structure, 2012-03, Vol.1012, p.168-176

2012

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Vibrational (FT-IR and FT-Raman) spectral investigations of 7-aminoflavone with density functional theoretical simulations

Molecular simulation, 2012-04, Vol.38 (4), p.315-325

2012

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

Optics and spectroscopy, 2014-02, Vol.116 (2), p.187-195

2014

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

Оптика и спектроскопия, 2014, Vol.116 (2), p.205-213

2014

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Primary Surgery with Systemic Therapy in Patients with de Novo Stage IV Breast Cancer: 10-year Follow-up; Protocol MF07-01 Randomized Clinical Trial

Journal of the American College of Surgeons, 2021-12, Vol.233 (6), p.742-751.e5

2021

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Vibrational spectroscopic investigation of metal[II] tetracyanonickelate complexes of 4-acetylpyridine and acridine

Journal of molecular structure, 1997-06, Vol.408, p.319-324

1997

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Molecular Structure, Vibrational Spectral Investigation and the Confirmation Analysis of 4-Methylesculetin Molecule

Оптика и спектроскопия, 2014, Vol.116 (3), p.376-387

2014

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FT-IR, FT-Raman, NMR Spectra and DFT Simulations of 4-(4-Fluoro-Phenyl)-1H-Imidazole

Оптика и спектроскопия, 2013, Vol.114 (4), p.573-584

2013

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An investigations on the molecular structure, FT-IR, FT-Raman and NMR spectra of 1-(p-tolylsulfonyl) pyrrole by theoretical and experimental approach

Structural conformations and vibrational spectral study of chloroflavone with density functional theoretical simulations

Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole

FT-IR, FT-Raman spectra and scaled quantum mechanical study of 4-amino-1-benzylpiperidine

FT-IR and Raman Spectroscopy and Computation of 5-Methylfurfural

DFT simulation, quantum chemical electronic structure, spectroscopic and structure-activity investigations of 4-acetylpyridine

Synthesis, spectroscopic and DFT investigation of dimethyl-2-(5-acetyl-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(triphenylphosphinylidene)succinate

Electronic [UV–Visible] and vibrational [FT-IR] investigation and NMR spectroscopic analysis of some halogen substituted chromone (6-Fluorochromone, 6-Chlorochromone, 6-Bromochromone)

β-Ga2O3 nanoflakes/p-Si heterojunction self-powered photodiodes

DFT, FT-Raman, FT-IR and FT-NMR studies of 4-phenylimidazole

An investigation into the structural, electronic, and non-linear optical properties in CN (N = 20, 24, 26, 28, 30, 32, 34, 36, and 38) fullerene cages

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

FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole

Theoretical investigations on the molecular structure and vibrational spectral analysis of 4-methyl 2-phenylimidazole

Molecular structure, vibrational spectral investigation and the confirmation analysis of 4-Methylesculetin molecule

Study on molecular structure and vibrational spectra of (triphenylphosphoranylidene) acetaldehyde using DFT: A combined experimental and quantum chemical approach

DFT simulations, FT-IR, FT-raman, and FT-NMR spectra of 4-(4-chlorophenyl)-1H-imidazole molecules

Vibrational spectral and quantum chemical investigations of tert-butyl-hydroquinone

Vibrational (FT-IR and FT-Raman) spectral investigations of 7-aminoflavone with density functional theoretical simulations

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

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

Primary Surgery with Systemic Therapy in Patients with de Novo Stage IV Breast Cancer: 10-year Follow-up; Protocol MF07-01 Randomized Clinical Trial

Vibrational spectroscopic investigation of metal[II] tetracyanonickelate complexes of 4-acetylpyridine and acridine

Molecular Structure, Vibrational Spectral Investigation and the Confirmation Analysis of 4-Methylesculetin Molecule

FT-IR, FT-Raman, NMR Spectra and DFT Simulations of 4-(4-Fluoro-Phenyl)-1H-Imidazole

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