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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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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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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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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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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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Nanotechnology Applications in Agricultural and Bioprocess Engineering: Farm to Table

1, 2022

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Rationalizing the stability and noncovalent interactions of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(methylthio)thiazole-4-carboxamide: Insights from X‐ray structure and QTAIM analysis

Journal of molecular structure, 2025-01, Vol.1319, p.139407, Article 139407

2025

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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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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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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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A comprehensive analysis of the molecular packing in the crystal of (4-methoxyphenyl)methyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate: Insights of X-ray crystallography and DFT analysis

Journal of molecular structure, 2025-01, Vol.1319, p.139584, Article 139584

2025

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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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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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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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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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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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Nanotechnology Applications in Dairy Science: Packaging, Processing, and Preservation

1, 2020

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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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Multiple sclerosis genomic map implicates peripheral immune cells and microglia in susceptibility

Science (American Association for the Advancement of Science), 2019-09, Vol.365 (6460), p.1417

2019

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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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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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Detection of Natural Disasters Using Machine Learning and Computer Vision by Replacing the Need of Sensors

Inventive Communication and Computational Technologies, 2023, Vol.757, p.735-748

2023

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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

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

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

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

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

Nanotechnology Applications in Agricultural and Bioprocess Engineering: Farm to Table

Rationalizing the stability and noncovalent interactions of N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(methylthio)thiazole-4-carboxamide: Insights from X‐ray structure and QTAIM analysis

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

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

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

A comprehensive analysis of the molecular packing in the crystal of (4-methoxyphenyl)methyl 4-(4-chlorophenyl)-1,3-thiazole-2-carboxylate: Insights of X-ray crystallography and DFT analysis

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

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

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

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

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

Nanotechnology Applications in Dairy Science: Packaging, Processing, and Preservation

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

Multiple sclerosis genomic map implicates peripheral immune cells and microglia in susceptibility

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

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

Detection of Natural Disasters Using Machine Learning and Computer Vision by Replacing the Need of Sensors

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