All Stories

  1. Synthesis, SCXRD, Hirshfeld analysis, DFT, molecular docking, in vitro anti-cancer, anti-diabetic and anti-inflammatory activities of (E)-4-[(4-hydroxybenzylidene)hydrazinyl]benzonitrile

    Article • Journal of Molecular Structure, March 2025, Elsevier

    Dr. Dhandapani Arumugam

  2. Computational investigation of hydrazone derivatives as potential COVID-19 receptor inhibitors: DFT analysis, molecular docking, dynamics simulations, topological indices and ADMET profiling

    Article • Molecular Physics, September 2024, Taylor & Francis

    Dr. Dhandapani Arumugam

  3. Synthesis and characterization of poly indole-iron oxide nanoparticles for biomedical applications

    Article • Inorganic Chemistry Communications, March 2024, Elsevier

    Dr. Dhandapani Arumugam

  4. Crystal growth, structural and DFT study of novel single crystal (E)-N’-(2-chlorobenzylidene)-4-fluorobenzohydrazide for nonlinear optical applications

    Article • Optical Materials, March 2023, Elsevier

    Dr. Dhandapani Arumugam

  5. Structural, spectral, DFT and Z-scan analysis of (E)-4-fluoro-N′(3,4,5-trimethoxybenzylidene)benzohydrazide for optoelectronics applications

    Article • Optik, September 2022, Elsevier

    Dr. Dhandapani Arumugam

  6. 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

  7. 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

  8. Synthesis, crystal structure, Hirshfeld surface, DFT calculations, Z-scan and nonlinear optical studies of novel flourinated hexahydropyrimidine

    Article • Journal of Molecular Structure, March 2021, Elsevier

    Dr. Dhandapani Arumugam

  9. Crystal structure, Hirshfeld surface and frontier molecular orbital analysis of 10-benzyl-9-(3-ethoxy-4-hydroxyphenyl)-3,3,6,6-tetramethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

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

    Dr. Dhandapani Arumugam

  10. Synthesis, experimental and computational spectroscopic investigations of third-order nonlinear optical material (E)-N′-(benzo[d][1,3]dioxol-5-ylmethylene)benzohydrazide

    Article • Journal of Physics D Applied Physics, July 2019, Institute of Physics Publishing

    Dr. Dhandapani Arumugam

  11. Synthesis, solid state structure, Hirshfeld surface, nonlinear optics and DFT studies on novel bischalcone derivative

    Article • Journal of Molecular Structure, March 2019, Elsevier

    Dr. Dhandapani Arumugam

  12. Synthesis, rotational, vibrational and transitional spectra investigation on novel ethyl-4-(3-(benzo[d]1,3di-oxole-5-carboxamido)phenyl)-1,2,3,4-tetrahydro-6-methyl-2-oxopyrimidine-5-carboxylate

    Article • Journal of Molecular Structure, August 2018, Elsevier

    Dr. Dhandapani Arumugam

  13. Synthesis, Spectroscopic, Intramolecular Energy Transfer and Electronic Structure Nonlinear Optical Properties of Novel Tetrahydropyrimidinone

    Article • Oriental Journal Of Chemistry, May 2018, Oriental Scientific Publishing Company

    Dr. Dhandapani Arumugam

  14. Molecular Spectroscopy and Molecular Docking Studies on (E)-1-(4-Bromobenzylidene) Thiourea

    Article • Journal of new developments in Chemistry, February 2018, Open Access Pub

    Dr. Dhandapani Arumugam

  15. Nonlinear optical investigation of (E)-1-(4-flourobenzylidene)urea using theoretical calculations

    Article • International Journal of Advanced Chemistry, December 2017, Science Publishing Corporation

    Dr. Dhandapani Arumugam

  16. Synthesis, crystal growth, structural evaluation and nonlinear optical analysis of ethyl-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

    Article • Journal of Molecular Structure, January 2017, Elsevier

    Dr. Dhandapani Arumugam

  17. Molecular Investigation and Nonlinear Optical Response of Dihydropyrimidinone: A Comparative Spectroscopic and Quantum Computational Studies

    Article • Archives in Chemical Research, January 2017, Scitechnol Biosoft Pvt. Ltd.

    Dr. Dhandapani Arumugam

  18. Synthesis, single crystal structure, Hirshfeld surface and theoretical investigations on pyrimidine derivative

    Article • Chemical Physics Letters, July 2016, Elsevier

    Dr. Dhandapani Arumugam

  19. Molecular Investigation and Characterization of 5-(3-bromo-4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione: A Molecular Orbital Approach

    Article • Canadian Chemical Transactions, March 2016, Borderless Science Publishing

    Dr. Dhandapani Arumugam

  20. Synthesis and spectroscopical study of rhodanine derivative using DFT approaches

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, July 2015, Elsevier

    Dr. Dhandapani Arumugam

  21. Synthesis, spectral characterization and density functional theory exploration of 1-(quinolin-3-yl)piperidin-2-ol

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, June 2015, Elsevier

    Dr. Dhandapani Arumugam

  22. Crystal structure of ethyl (2S)-9-methoxy-2-methyl-4-oxo-3,4,5,6-tetrahydro-2H- 2,6-methanobenzo[g][1,3,5]oxadiazocine-11-carboxylate

    Article • Acta Crystallographica Section E Crystallographic Communications, January 2015, International Union of Crystallography

    Dr Bakthavatchallu Gunasekaran, Dr. Dhandapani Arumugam, Professor Emerita Helen Stoeckli-Evans

  23. Molecular structure and vibrational analysis on (E)-1-(3-methyl-2,6-diphenyl piperidin-4-ylidene) semicarbazide

    Article • Journal of Molecular Structure, January 2014, Elsevier

    Dr. Dhandapani Arumugam