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Novel Isoxazolone Based Azo Dyes: Synthesis, Characterization, Computational, Solvatochromic UV-Vis Absorption and Biological Studies

Journal of molecular structure, 2021-11, Vol.1244, p.130933, Article 130933

2021

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Coumarin-Benzothiazole Based Azo Dyes: Synthesis, Characterization, Computational, Photophysical and Biological Studies

Journal of molecular structure, 2021-12, Vol.1246, p.131170, Article 131170

2021

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A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation

Journal of molecular structure, 2024-12, Vol.1317, p.139133, Article 139133

2024

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Design, Molecular Docking, ADME Analysis and Molecular Dynamics Studies of Novel Acetylated Schiff bases as COX-2 inhibitors

Research journal of pharmacy and technology, 2020-04, Vol.13 (4), p.1901

2020

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Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks, and DFT calculations of (2e)-3-(dimethylamino)-1-[5-methyl-1-(4-nitrophenyl)-1h-1,2,3-triazol-4-yl]prop-2-en-1-one

Molecular Crystals and Liquid Crystals, 2024-04, Vol.768 (6), p.11-26

2024

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Structure property relationship in two thiazole derivatives: Insights of crystal structure, Hirshfeld surface, DFT, QTAIM, NBO and molecular docking studies

Molecular Crystals and Liquid Crystals, 2023-09, Vol.763 (1), p.54-72

2023

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Synthesis, molecular structure, Hirshfeld surface, energy framework and DFT studies of 1,3,4 oxadiazole derivative

Journal of molecular structure, 2022-03, Vol.1252, p.132203, Article 132203

2022

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Synthesis, characterizations of new Schiff base heterocyclic derivatives and their optoelectronic, computational studies with level II & III features of LFPs

Journal of molecular structure, 2022-09, Vol.1264, p.133231, Article 133231

2022

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Ordering self-assembly structures via N H⋯S and Br⋯S interactions in (E)-2-(4-bromobenzylidene)hydrazinecarbothioamide : Insights from crystallographic and computational study

Journal of molecular structure, 2024-08, Vol.1310, p.138285, Article 138285

2024

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Synthesis, structure elucidation, energy frameworks, and DFT calculations of 2,5-diphenyl-1,3,4-thiadiazole

Journal of molecular structure, 2023-07, Vol.1283, p.135320, Article 135320

2023

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N -[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide

Acta crystallographica. Section E, Structure reports online, 2013-07, Vol.69 (7), p.o1090-o1090

2013

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Design, synthesis, molecular docking and DFT computational insight on the structure of Piperazine sulfynol derivatives as a new antibacterial contender against superbugs MRSA

Journal of molecular structure, 2022-01, Vol.1247, p.131333, Article 131333

2022

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Persistent prevalence of non-covalent interaction in pyrimidine containing sulfonamide derivative: A quantum computational analysis

Journal of molecular structure, 2022-10, Vol.1266, p.133378, Article 133378

2022

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Probing the hydrogen bond network in the crystal structure of a sulfonamide derivative: A quantum chemical approach

Journal of molecular structure, 2023-10, Vol.1289, p.135841, Article 135841

2023

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Crystal structure studies, Hirshfeld surface analysis, 3D energy frameworks, computational studies and docking analysis of a 2-(4-nitrophenyl)-2-oxoethyl 2-methoxybenzoate

Journal of molecular structure, 2023-06, Vol.1282, p.135215, Article 135215

2023

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N-[2-(5-bromo-2-chloro-pyrimidin-4-yl)thio)-4-methoxy-phenyl]-4-chlorobenzenesulfonamide: The existence of H-bond and halogen bond interactions assisted supramolecular architecture – A quantum chemical investigation

Journal of molecular structure, 2022-11, Vol.1267, p.133476, Article 133476

2022

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Automatic Early Detection of Dysarthria using Deep Neural Network

2023 International Conference on Smart Systems for applications in Electrical Sciences (ICSSES), 2023, p.1-4

2023

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Synthesis, structure elucidation, Hirshfeld surface analysis, energy frameworks and DFT studies of novel ethyl 2-(5-methyl-2-oxopyridin-N-yl)acetate (OPA)

Journal of molecular structure, 2022-12, Vol.1270, p.133928, Article 133928

2022

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Synthesis of citral-tryptamine fused selenium nanospheres (CT@SeNP's) and exploration of their anticancer, antibacterial, and electrochemical sensor applications

Journal of molecular structure, 2024-08, Vol.1310, p.138240, Article 138240

2024

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Synthesis, Characterization, and Photophysical Probing Interaction Studies on Azo‐Sulfonamides Acting as Potent Anti‐Tubercular Agents

ChemistrySelect (Weinheim), 2023-11, Vol.8 (41), p.n/a

2023

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Synthesis, structure elucidation, hirshfeld surface, DFT studies of Hydrazide derivative: Experimental and theoretical approach

Chemical Data Collections, 2023-06, Vol.45, p.101030, Article 101030

2023

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Analyses of the structure and supramolecular organisation of 2-E-((4-hydroxyphenyl) diazenyl) benzoic acid

Chemical Data Collections, 2023-10, Vol.47, p.101058, Article 101058

2023

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MOLECULAR IODINE CATALYZED SOLVENT FREE ONE POT SYNTHESIS, CHARACTERIZATION, INSILICO ADME, hERG ANALYSIS, MOLECULAR DOCKING STUDIES AND DFT ANALYSIS OF 2- SUBSTITUTED 4,5-DIPHENYL-1H-IMIDAZOLE DERIVATIVES

Journal of advanced scientific research, 2021-11, Vol.12 (4), p.211-229

2021

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N -(3-Methoxybenzoyl)-4-methylbenzenesulfonamide

Acta crystallographica. Section E, Structure reports online, 2013-08, Vol.69 (8), p.o1263-o1263

2013

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N-(3-Meth-oxy-benzo-yl)-4-methyl-benzene-sulfonamide

Acta crystallographica. Section E, Structure reports online, 2013, Vol.69 (Pt 8), p.o1263-o1263

2013

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Novel Isoxazolone Based Azo Dyes: Synthesis, Characterization, Computational, Solvatochromic UV-Vis Absorption and Biological Studies

Coumarin-Benzothiazole Based Azo Dyes: Synthesis, Characterization, Computational, Photophysical and Biological Studies

A new Thiadiazole-triazine derivative: Structural investigation, DFT studies, ADME-T analysis and SARS-CoV-2 activity by docking simulation

Design, Molecular Docking, ADME Analysis and Molecular Dynamics Studies of Novel Acetylated Schiff bases as COX-2 inhibitors

Synthesis, crystal structure, Hirshfeld surface analysis, energy frameworks, and DFT calculations of (2e)-3-(dimethylamino)-1-[5-methyl-1-(4-nitrophenyl)-1h-1,2,3-triazol-4-yl]prop-2-en-1-one

Structure property relationship in two thiazole derivatives: Insights of crystal structure, Hirshfeld surface, DFT, QTAIM, NBO and molecular docking studies

Synthesis, molecular structure, Hirshfeld surface, energy framework and DFT studies of 1,3,4 oxadiazole derivative

Synthesis, characterizations of new Schiff base heterocyclic derivatives and their optoelectronic, computational studies with level II & III features of LFPs

Ordering self-assembly structures via N H⋯S and Br⋯S interactions in (E)-2-(4-bromobenzylidene)hydrazinecarbothioamide : Insights from crystallographic and computational study

Synthesis, structure elucidation, energy frameworks, and DFT calculations of 2,5-diphenyl-1,3,4-thiadiazole

N -[(2-Chlorophenyl)sulfonyl]-3-nitrobenzamide

Design, synthesis, molecular docking and DFT computational insight on the structure of Piperazine sulfynol derivatives as a new antibacterial contender against superbugs MRSA

Persistent prevalence of non-covalent interaction in pyrimidine containing sulfonamide derivative: A quantum computational analysis

Probing the hydrogen bond network in the crystal structure of a sulfonamide derivative: A quantum chemical approach

Crystal structure studies, Hirshfeld surface analysis, 3D energy frameworks, computational studies and docking analysis of a 2-(4-nitrophenyl)-2-oxoethyl 2-methoxybenzoate

N-[2-(5-bromo-2-chloro-pyrimidin-4-yl)thio)-4-methoxy-phenyl]-4-chlorobenzenesulfonamide: The existence of H-bond and halogen bond interactions assisted supramolecular architecture – A quantum chemical investigation

Automatic Early Detection of Dysarthria using Deep Neural Network

Synthesis, structure elucidation, Hirshfeld surface analysis, energy frameworks and DFT studies of novel ethyl 2-(5-methyl-2-oxopyridin-N-yl)acetate (OPA)

Synthesis of citral-tryptamine fused selenium nanospheres (CT@SeNP's) and exploration of their anticancer, antibacterial, and electrochemical sensor applications

Synthesis, Characterization, and Photophysical Probing Interaction Studies on Azo‐Sulfonamides Acting as Potent Anti‐Tubercular Agents

Synthesis, structure elucidation, hirshfeld surface, DFT studies of Hydrazide derivative: Experimental and theoretical approach

Analyses of the structure and supramolecular organisation of 2-E-((4-hydroxyphenyl) diazenyl) benzoic acid

MOLECULAR IODINE CATALYZED SOLVENT FREE ONE POT SYNTHESIS, CHARACTERIZATION, INSILICO ADME, hERG ANALYSIS, MOLECULAR DOCKING STUDIES AND DFT ANALYSIS OF 2- SUBSTITUTED 4,5-DIPHENYL-1H-IMIDAZOLE DERIVATIVES

N -(3-Methoxybenzoyl)-4-methylbenzenesulfonamide

N-(3-Meth-oxy-benzo-yl)-4-methyl-benzene-sulfonamide

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