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  1. Synthesis, crystal structure, spectroscopic characterization and intermolecular interactions of N-(4-(4-(2-(4-chlorophenyl)-4,5-diphenyl-1H-imidazole-1-yl)phenylsulphonyl)phenyl)acetamide (NCDIPSA): Experimental and DFT analysis

    Article • Materials Chemistry and Physics, July 2026, Elsevier

    Dr Arulraj Ramalingam

  2. Synthesis, Spectroscopic Characterization, DFT Analysis, and Molecular Docking Studies of a Nitrosopiperidin-4-One Derivative Toward Antiviral Applications

    Article • Journal of Computational Biophysics and Chemistry, June 2026, World Scientific Pub Co Pte Lt

    Dr Arulraj Ramalingam

  3. Synthesis, crystal, electronic, and supramolecular characterization of new 1,2-bis(1-(5-bromothiophen-2-yl)ethylidene)hydrazine (5BEH): Insights from XRD, DFT, Hirshfeld analysis, molecular docking, and ADMET studies

    Article • Journal of Molecular Structure, June 2026, Elsevier

    Dr Arulraj Ramalingam

  4. Oxazinyl-Thiazolidinone Hybrids: Integrated Synthesis, Anticancer Activity, Molecular Docking and In-silico Pharmacokinetic Evaluation

    Article • Journal of Computational Biophysics and Chemistry, March 2026, World Scientific Pub Co Pte Lt

    Dr Arulraj Ramalingam

  5. Theoretical insights into the reactivity, topological properties, and OSR1 kinase interaction of anti-hypertensive drugs: a DFT and docking-based study

    Article • Discover Chemistry, January 2026, Springer Science + Business Media

    Dr Arulraj Ramalingam

  6. (E)-N'-(4-methoxybenzylidene)-2-((5-phenyl-1H-pyrazol-3-yl)oxy)acetohydrazide as potential antidiabetic agent: Synthesis, X-ray, Hirshfeld surface, biological evaluation and computational studies

    Article • Journal of Molecular Structure, January 2026, Elsevier

    Dr Arulraj Ramalingam

  7. Synthesis, X-ray, Hirshfeld surface, DFT, non-covalent interaction, antihyperglycemic activity and molecular docking studies of (E)-N'-(2-chlorobenzylidene)-2-((5-phenyl-1H-pyrazol-3-yl)oxy)acetohydrazide

    Article • Journal of Molecular Structure, December 2025, Elsevier

    Dr Arulraj Ramalingam

  8. Insights into the structural and interactional aspects of new 4-((2,4,5-triphenyl-1H-imidazol-1-yl)methyl)pyridine (4TIMP): crystal, Hirshfeld surface, DFT, topology, docking, and ADMET analyses

    Article • Journal of Molecular Structure, October 2025, Elsevier

    Dr Arulraj Ramalingam

  9. Elucidating the Biological Potential of 4′-Bromo-5-(furan-2-yl)-1, 6-dihydro-[1,1′-biphenyl]-3(2H)-one: Intermolecular Interactions and Insights into Its Anti-Ebola Activity

    Article • Journal of Computational Biophysics and Chemistry, May 2025, World Scientific Pub Co Pte Lt

    Dr Arulraj Ramalingam

  10. Synthesis, exploring the structural, non covalent interaction effects, biological assessment, molecular docking and quantum chemical properties of functionalized new N-nitrosopiperidin-4-one: An experimental and theoretical study

    Article • Journal of Molecular Liquids, January 2025, Elsevier

    Dr Arulraj Ramalingam

  11. Study of new p-tolylpiperidin-4-one as an anti-Parkinson agent: Synthesis, spectral, XRD-crystal, in silico study, electronic and intermolecular interaction investigations by the DFT method

    Article • Materials Chemistry and Physics, July 2024, Elsevier

    Dr Arulraj Ramalingam

  12. Review on Ancient Tamil Architecture: A Immortal Heritage of Creativity and Artistic Perfection

    Article • Shanlax International Journal of Arts Science and Humanities, April 2024, Shanlax International Journals

    Dr Arulraj Ramalingam

  13. Study of new carbonitrile as an anti-muscular dystrophy agent: Crystal, vibrational spectroscopy, molecular docking, electronic and intermolecular interaction investigations by the DFT method

    Article • Journal of Molecular Structure, March 2024, Elsevier

    Dr Arulraj Ramalingam

  14. Spectroscopic study, Hirshfeld surface, DFT, in-silico molecular docking and ADMET studies of 2,6-bis(4-chlorophenyl)-3-isopropylpiperidin-4-one (BCIP): A potent antiviral agent

    Article • Journal of Molecular Structure, November 2023, Elsevier

    Dr Arulraj Ramalingam

  15. Conformation and vibrational spectroscopic analysis of 2,6-bis(4-fluorophenyl)-3,3-dimethylpiperidin-4-one (BFDP) by DFT method: A potent anti-Parkinson’s, anti-lung cancer, and anti-human infectious agent

    Article • Heliyon, November 2023, Elsevier

    Dr Arulraj Ramalingam

  16. Microwave assisted synthesis, vibrational spectra, Hirshfeld surface and interaction energy, DFT, topology, in silico ADMET and molecular docking studies of 1,2-bis(4-methoxybenzylidene)hydrazine

    Article • Journal of Molecular Structure, April 2023, Elsevier

    Dr Arulraj Ramalingam

  17. Catalytic multicomponent synthesis, biological evaluation, molecular docking and in silico ADMET studies of some novel 3-alkyl indoles

    Article • Journal of King Saud University - Science, February 2023, Elsevier

    Dr Arulraj Ramalingam

  18. Spectroscopic Study, Hirshfeld Surface, DFT, In-Silico Molecular Docking and ADMET Studies of 2,6-Bis(4-Chlorophenyl)-3,3-Dimethylpiperidin-4-One (BCDP): a Potent Antiviral Agent

    Article • January 2023, Elsevier

    Dr Arulraj Ramalingam

  19. Synthesis, vibrational spectra, Hirshfeld surface analysis, DFT calculations, and in silico ADMET study of 3-(2-chloroethyl)-2,6-bis(4-fluorophenyl)piperidin-4-one: A potent anti-Alzheimer agent

    Article • Journal of Molecular Structure, December 2022, Elsevier

    Dr Arulraj Ramalingam

  20. Synthesis, spectroscopic, topological, hirshfeld surface analysis, and anti-covid-19 molecular docking investigation of isopropyl 1-benzoyl-4-(benzoyloxy)-2,6-diphenyl-1,2,5,6-tetrahydropyridine-3-carboxylate

    Article • Heliyon, October 2022, Elsevier

    Dr Arulraj Ramalingam, Dr Nathanael Damilare Ojo

  21. 3-Chloro-3-methyl-2,6-diarylpiperidin-4-ones as Anti-Cancer Agents: Synthesis, Biological Evaluation, Molecular Docking, and In Silico ADMET Prediction

    Article • Biomolecules, August 2022, MDPI AG

    Dr Arulraj Ramalingam

  22. Synthesis, molecular docking of 3-(2-chloroethyl)-2,6-diphenylpiperidin-4-one: Hirshfeld surface, spectroscopic and DFT based analyses

    Article • Journal of Molecular Structure, August 2022, Elsevier

    Dr Arulraj Ramalingam, Dr. Dhandapani Arumugam

  23. Synthesis, in vitro and in silico antitumor evaluation of 3-(2,6-dichlorophenyl)-1,5-diphenylpentane-1,5‑dione: Structure, spectroscopic, RDG, Hirshfeld and DFT based analyses

    Article • Journal of Molecular Structure, March 2022, Elsevier

    Dr Arulraj Ramalingam, Dr. Dhandapani Arumugam

  24. Hirshfeld surface analysis, interaction energy calculation and spectroscopical study of 3-chloro-3-methyl-r(2),c(6)-bis(p-tolyl)piperidin-4-one using DFT approaches

    Article • Journal of Molecular Structure, January 2022, Elsevier

    Dr Arulraj Ramalingam

  25. Study of a new piperidone as an anti-Alzheimer agent: Molecular docking, electronic and intermolecular interaction investigations by DFT method

    Article • Journal of King Saud University - Science, December 2021, Elsevier

    Dr Arulraj Ramalingam

  26. Single crystal inspection, Hirshfeld surface investigation and DFT study of a novel derivative of 4-fluoroaniline: 4-((4-fluorophenyl)amino)-4-oxobutanoic acid (BFAOB)

    Article • Journal of the Iranian Chemical Society, October 2021, Springer Science + Business Media

    Dr Arulraj Ramalingam

  27. Synthesis, Crystal Structure, DFT Calculations and Hirshfeld Surface Analysis of 3-Chloro-2,6-Bis(4-Chlorophenyl)-3-Methylpiperidin-4-One

    Article • Journal of Chemical Crystallography, August 2020, Springer Science + Business Media

    Dr Arulraj Ramalingam

  28. Synthesis, vibrational spectra, DFT calculations, Hirshfeld surface analysis and molecular docking study of 3-chloro-3-methyl-2,6-diphenylpiperidin-4-one

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, May 2020, Elsevier

    Dr Arulraj Ramalingam

  29. Synthesis, crystal structure, DFT calculations and Hirshfeld surface analysis of 3-butyl-2,6-bis(4-fluorophenyl)piperidin-4-one

    Article • Acta Crystallographica Section E Crystallographic Communications, April 2020, International Union of Crystallography

    Dr Arulraj Ramalingam

  30. Organic Synthesis

    Article • Journal of Chemical Crystallography, January 2019, Springer Science + Business Media

    RAJKUMAR KRISHNAMOORTHY, Dr Arulraj Ramalingam

  31. Crystal structures of two new 3-(2-chloroethyl)-r(2),c(6)-diarylpiperidin-4-ones

    Article • Acta Crystallographica Section E Crystallographic Communications, March 2018, International Union of Crystallography

    Dr Sivakumar S, Dr Arulraj Ramalingam, Dr Thiruvalluvar Aravazhiamalan, RAJKUMAR KRISHNAMOORTHY, RAJKUMAR KRISHNAMOORTHI, Dr Thiruvalluvar Aravazhi Amalan

  32. Crystal structures of three 3-chloro-3-methyl-2,6-diarylpiperidin-4-ones

    Article • Acta Crystallographica Section E Crystallographic Communications, January 2017, International Union of Crystallography

    Dr Sivakumar S, Dr Thiruvalluvar Aravazhiamalan, Dr Arulraj Ramalingam, Dr Thiruvalluvar Aravazhi Amalan

  33. Crystal Structure of “t-3-Benzyl-r-2,c-6-diphenylpiperidin-4-one oxime”

    Article • IUCrData, December 2016, International Union of Crystallography

    Dr Sivakumar S, Dr Arulraj Ramalingam, Dr Thiruvalluvar Aravazhiamalan, Dr Thiruvalluvar Aravazhi Amalan

  34. 3-Chloro-r-2,c-6-bis(4-fluorophenyl)-3-methylpiperidin-4-one

    Article • IUCrData, October 2016, International Union of Crystallography

    Dr Thiruvalluvar Aravazhiamalan, Jerry P Jasinski, Dr Arulraj Ramalingam, Dr Thiruvalluvar Aravazhi Amalan

  35. t -3-Benzyl- r -2, c -6-diphenylpiperidin-4-one

    Article • IUCrData, February 2016, International Union of Crystallography

    Dr Sivakumar S, Dr Arulraj Ramalingam, Dr Thiruvalluvar Aravazhi Amalan, Dr Thiruvalluvar Aravazhiamalan