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Polycyclic Aromatic Compounds Volume 43, 2023 - Issue 10
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Research Articles

Synthesis, Electronic Structure, UV–Vis, Wave Function, and Molecular Docking Studies of Schiff Base (Z)-N-(Thiazol-2-yl)-4-((Thiophene-2-ylmethylene)Amino)Benzenesulfonamide

A. Kanagavallia Department of Physics, Government Arts College, Bharathidasan University, Tiruchirappalli, IndiaCorrespondence[email protected]
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G. Thilagavathib Department of Physics, Nehru Memorial College, Bharathidasan University, Tiruchirappalli, IndiaView further author information
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R. Jayachitrac Department of Physics, Urumu Dhanalakshmi College, Bharathidasan University, Tiruchirappalli, IndiaView further author information
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N. Elangovand Department of Chemistry, St Berchmans College (Autonomous), Mahatma Gandhi University, Changanassery, India;e Department of Mechanical Engineering, University Centre for Research and Development, Chandigarh University, Mohali, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0002-8665-0519View further author information
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S. Sowrirajanf Department of Chemistry, King Fahd University of Petroleum and Minerals, Dhahran, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-4865-3575View further author information
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K. R. Shadakshara Murthyg Department of Chemical Engineering, Siddaganga Institute of Technology, Tumkur, IndiaView further author information
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Renjith Thomase Department of Mechanical Engineering, University Centre for Research and Development, Chandigarh University, Mohali, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-0011-633XView further author information
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Pages 8710-8728 | Received 18 Aug 2022, Accepted 17 Nov 2022, Published online: 01 Dec 2022

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N. Elangovan, S. Sowrirajan, Natarajan Arumugam, B. Rajeswari, Shanty Mathew, C. Geetha Priya, B. R. Venkatraman & Sakkarapalayam M. Mahalingam. (2023) Theoretical Investigation on Solvents Effect in Molecular Structure (TD-DFT, MEP, HOMO-LUMO), Topological Analysis and Molecular Docking Studies of N-(5-((4-Ethylpiperazin-1-yl)Methyl)Pyridin-2-yl)-5-Fluoro-4-(4-Fluoro-1-Isopropyl-2-Methyl-1H-Benzo[d] Imidazol-6-yl) Pyrimidin-2-Amine. Polycyclic Aromatic Compounds 0:0, pages 1-24.
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Songül Şahin. (2023) A New Molecular Structure and Computational Analyses: DFT Studies, NLO Properties, ADMET Predictions, Biological Targets, and Docking Experiments. Polycyclic Aromatic Compounds 0:0, pages 1-15.
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N. Elangovan, T. Sankar Ganesan, B. Rajeswari, A. Kanagavalli, S. Kokilavani, S. Sowrirajan, S. Chandrasekar & Renjith Thomas. (2023) Solid-state Synthesis, electronic Structure Studies, Solvent Interaction through Hydrogen Bonding, and Molecular Docking Studies of 2,2’-((1,2-Phenylenebis(Azaneylylidene))Bis (Methaneylylidene))Diphenol from o-Phenylenediamine and Salicylaldehyde. Polycyclic Aromatic Compounds 0:0, pages 1-25.
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Elham S Aazam & Renjith Thomas. (2024) Solution stage fluorescence and anticancer properties of azomethine compounds from sulpha drugs: Synthesis, experimental and theoretical insights. Journal of Molecular Structure 1295, pages 136669.
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C. Bhaskar, N. Elangovan, S. Sowrirajan, S. Chandrasekar, Suliman Yousef Alomar & Asad Nawaz. (2023) Crystal structure, Hirshfeld surface analysis, and computational study of tin (IV) complex: Insights from spectroscopic, anticancer and cytotoxic properties. Results in Chemistry 6, pages 101036.
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N. Elangovan, P. Pandian, A. Kasthuri, S. Sowrirajan, Natarajan Arumugam, Abdulrahman I. Almansour & Karthikeyan Perumal. (2023) Structural, electronic features, photoluminescence property, antimicrobial activity and spectral properties of 5-bromosalicylaldehyde derivative. Journal of Molecular Structure 1294, pages 136355.
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N. Elangovan, T. Sankar Ganesan, R. Vignesh, Suliman Yousef Alomar, Sowrirajan S.S. Chandrasekar, Abdul Nasar Kalanthoden & Asad Nawaz. (2023) Influence of the solvents through molecular structure, wavefunction studies, biological activity prediction and molecular docking studies of 4,4-((1,2-phenylenebis (azaneylylidene)) bis (methaneylylidene)) bis(2-methoxyphenol). Journal of Molecular Liquids 391, pages 123334.
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T. Kaviya, P. Rajkumar, N. Elangovan, T. Arulmozhi, S. Sowrirajan, Natarajan Arumugam, Abdulrahman I. Almansour & Sakkarapalayam M. Mahalingam. (2023) Theoretical investigation, solvation effect, topology, NCI and molecular docking studies on potential Pemigatinib. Chemical Physics Impact 7, pages 100315.
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N. Elangovan, Suliman Yousef Alomar, S. Sowrirajan, B. Rajeswari, Asad Nawaz & Abdul Nasar Kalanthoden. (2023) Photoluminescence property and solvation studies on (E)-N-(pyrimidin-2yl)-4-((3,4,5-trimethoxy benzylidede) amino) benzene sulfonamide; Synthesis, structural, topological analysis, antimicrobial activity and molecular docking studies. Inorganic Chemistry Communications 155, pages 111019.
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G. Thilagavathi, R. Jayachitra, A. Kanagavalli, N. Elangovan, A. Sirajunnisa, K.J. Rajimon, S. Sowrirajan & Renjith Thomas. (2023) (E)-4-((4-chlorobenzylidene)amino)-N-(thiazole-2yl) benzenesulfonamide: Synthesis, characterization and electronic structure theory and docking studies. Journal of the Indian Chemical Society 100:2, pages 100910.
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R. Jayachitra, G. Thilagavathi, A. Kanagavalli, N. Elangovan, S. Sowrirajan & Renjith Thomas. (2023) Photophysical properties of (E)-4-((1-phenylethylidene)amino)-N-(pyrimidin-2-yl) benzenesulfonamide; synthesis, characterization, wavefunction and docking studies. Journal of the Indian Chemical Society 100:2, pages 100903.
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A. Kanagavalli, R. Jayachitra, G. Thilagavathi, N. Elangovan, S. Sowrirajan & Renjith Thomas. (2023) Synthesis, characterization, computational, excited state properties, wave function, and molecular docking studies of (E)-4-((2-hydroxybenzylidene)amino)N-(thiazol-2-yl) benzenesulfonamide. Journal of the Indian Chemical Society 100:2, pages 100885.
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