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Crystal structure, spectroscopic characterization, thermal properties and theoretical investigations on [Ag(methyl 4-pyridyl ketone)2NO3]

Journal of molecular structure, 2019-09, Vol.1191, p.301-313

2019

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Quantum chemical and spectroscopic (FT-IR and FT-Raman) investigations of 3-methyl-3h-imidazole-4-carbaldehyde

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-12, Vol.133, p.683-696

2014

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FT-IR, FT-Raman spectra, and DFT computations of the vibrational spectra and molecular geometry of chlorzoxazone

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-05, Vol.126, p.339-348

2014

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FTIR, Raman and NMR spectroscopic and DFT theoretical studies on poly(N-vinylimidazole)

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-01, Vol.134, p.267-275

2015

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Experimental and DFT studies of solvent effects on molecular structure and physical properties of Dipyridylamine pyridine based ligand

Journal of molecular structure, 2017-04, Vol.1133, p.580-590

2017

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An FT-IR and DFT study of the free and solvated 4-(imidazol-1-yl)phenol

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-11, Vol.150, p.614-622

2015

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DFT, FT-IR and FT-Raman investigations of 1-methyl-2-imidazolecarboxaldehyde

Journal of molecular structure, 2013-12, Vol.1053, p.27-37

2013

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Theoretical and experimental study of solvent effects on the structure, vibrational spectra, and tautomerism of 3-amino-1,2,4-triazine

Journal of molecular structure, 2013, Vol.1052, p.57-66

2013

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Crystal structure, FT-IR, FT-Raman and DFT studies on a novel compound [C10H9N3]4AgNO3

Journal of organometallic chemistry, 2016-03, Vol.805, p.108-116

2016

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Vibrational spectroscopic and density functional study on 1,2,4-triazolo-[1,5-a]pyrimidine

Vibrational spectroscopy, 2017-09, Vol.92, p.280-286

2017

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Experimental and theoretical vibrational spectroscopic, quantum chemical analysis, and electronic properties investigations of novel ruthenium complexes (RuLCl2·2H2O; L: 4,4´-Dimethoxy-2,2´-Bipyridine, 4,4´-Dimethyl-2,2´-Bipyridine)

Polyhedron, 2023-04, Vol.234, p.116322, Article 116322

2023

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An experimental and theoretical investigation of free Oxazole in conjunction with the DFT analysis of Oxazole⋯(H2O)n complexes

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2016-06, Vol.162, p.48-60

2016

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Experimental and theoretical study on free 5-nitroquinoline, 5-nitroisoquinoline, and their zinc(II) halide complexes

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2015-02, Vol.137, p.945-956

2015

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A study of the molecular structure and spectroscopic properties of 3-hydroxy-2-quinoxalinecarboxylic acid by experimental methods and quantum chemical calculations

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2013-01, Vol.101, p.14-21

2013

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Structure and vibrational assignment of tautomerism of 4-hydroxyquinazoline in gaseous and aqueous phases

Journal of molecular structure, 2011-08, Vol.1001 (1), p.16-22

2011

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Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2011-10, Vol.81 (1), p.684-689

2011

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Vibrational and electronic structural study of dinuclear Zn(II) halide complexes with 4-azabenzimidazole

Journal of organometallic chemistry, 2013-11, Vol.745-746, p.363-372

2013

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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, 2010-01, Vol.963 (2), p.194-201

2010

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New silver(I) complex as antibiotic candidate: Synthesis, spectral characterization, DFT, QTAIM and antibacterial investigations and docking properties

Journal of molecular structure, 2022-08, Vol.1261, p.132902, Article 132902

2022

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FT-IR and FT-Raman spectroscopic and DFT theoretical studies on 4-azabenzimidazole

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2012-04, Vol.89, p.252-258

2012

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Molecular structure and vibrational spectra of piperidine and 4-methylpiperidine by density functional theory and ab initio Hartree–Fock calculations

Journal of molecular structure, 2007-05, Vol.834, p.540-547

2007

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Copper(I) iodide complex with 4-pyridinecarboxaldehyde ligand: Synthesis, spectroscopic characterisation, AIM and NCI analysis combined with molecular docking and antibacterial activity studies

Journal of molecular structure, 2023-02, Vol.1273, p.134279, Article 134279

2023

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Synthesis, spectroscopic characterization (FT-IR, PL), DFT calculations and antibacterial activity of silver(I) nitrate complex with nicotinaldehyde

Inorganic chemistry communications, 2021-09, Vol.131, p.108760, Article 108760

2021

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Experimental and Theoretical Vibrational Spectroscopic Investigations, DFT quantum chemical analysis, Biological activities and Molecular docking on 4,4′-Dimethoxy-2,2′-Bipyridine

Journal of molecular structure, 2022-07, Vol.1260, p.132846, Article 132846

2022

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Spectroscopic characterization, DFT calculations, and microbiological activity of 5-iodoindole

Journal of molecular structure, 2022-03, Vol.1252, p.132125, Article 132125

2022

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Crystal structure, spectroscopic characterization, thermal properties and theoretical investigations on [Ag(methyl 4-pyridyl ketone)2NO3]

Quantum chemical and spectroscopic (FT-IR and FT-Raman) investigations of 3-methyl-3h-imidazole-4-carbaldehyde

FT-IR, FT-Raman spectra, and DFT computations of the vibrational spectra and molecular geometry of chlorzoxazone

FTIR, Raman and NMR spectroscopic and DFT theoretical studies on poly(N-vinylimidazole)

Experimental and DFT studies of solvent effects on molecular structure and physical properties of Dipyridylamine pyridine based ligand

An FT-IR and DFT study of the free and solvated 4-(imidazol-1-yl)phenol

DFT, FT-IR and FT-Raman investigations of 1-methyl-2-imidazolecarboxaldehyde

Theoretical and experimental study of solvent effects on the structure, vibrational spectra, and tautomerism of 3-amino-1,2,4-triazine

Crystal structure, FT-IR, FT-Raman and DFT studies on a novel compound [C10H9N3]4AgNO3

Vibrational spectroscopic and density functional study on 1,2,4-triazolo-[1,5-a]pyrimidine

Experimental and theoretical vibrational spectroscopic, quantum chemical analysis, and electronic properties investigations of novel ruthenium complexes (RuLCl2·2H2O; L: 4,4´-Dimethoxy-2,2´-Bipyridine, 4,4´-Dimethyl-2,2´-Bipyridine)

An experimental and theoretical investigation of free Oxazole in conjunction with the DFT analysis of Oxazole⋯(H2O)n complexes

Experimental and theoretical study on free 5-nitroquinoline, 5-nitroisoquinoline, and their zinc(II) halide complexes

A study of the molecular structure and spectroscopic properties of 3-hydroxy-2-quinoxalinecarboxylic acid by experimental methods and quantum chemical calculations

Structure and vibrational assignment of tautomerism of 4-hydroxyquinazoline in gaseous and aqueous phases

Synthesis, spectroscopy, and characterization of some bis-nicotinamide metal(II) dihalide complexes

Vibrational and electronic structural study of dinuclear Zn(II) halide complexes with 4-azabenzimidazole

FT-IR, FT-Raman spectra, density functional computations of the vibrational spectra and molecular geometry of 2-hydroxyquinoxaline

New silver(I) complex as antibiotic candidate: Synthesis, spectral characterization, DFT, QTAIM and antibacterial investigations and docking properties

FT-IR and FT-Raman spectroscopic and DFT theoretical studies on 4-azabenzimidazole

Molecular structure and vibrational spectra of piperidine and 4-methylpiperidine by density functional theory and ab initio Hartree–Fock calculations

Copper(I) iodide complex with 4-pyridinecarboxaldehyde ligand: Synthesis, spectroscopic characterisation, AIM and NCI analysis combined with molecular docking and antibacterial activity studies

Synthesis, spectroscopic characterization (FT-IR, PL), DFT calculations and antibacterial activity of silver(I) nitrate complex with nicotinaldehyde

Experimental and Theoretical Vibrational Spectroscopic Investigations, DFT quantum chemical analysis, Biological activities and Molecular docking on 4,4′-Dimethoxy-2,2′-Bipyridine

Spectroscopic characterization, DFT calculations, and microbiological activity of 5-iodoindole

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