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  1. Spectral, optical, thermal, dielectric, micro hardness analysis and computational calculations of a novel crystal, 2-amino-3-methylpyridinium 2, 4-dinitrobenzoate

    Article • Journal of Molecular Structure, January 2025, Elsevier

    Dr Manimaran D

  2. Spectral, structural and theoretical studies of α‒methyl trans cinnamaldehyde semicarbazone

    Article • Journal of Molecular Structure, April 2019, Elsevier

    Dr Manimaran D

  3. Synthesis, Hirshfeld surface analysis, laser damage threshold, third-order nonlinear optical property and DFT computation studies of Dichlorobis(DL-valine)zinc(II): A spectroscopic approach

    Article • Optical Materials, January 2018, Elsevier

    Dr Manimaran D

  4. Studies on Molecular Structure and Vibrational Spectra of NLO Crystal L-Glutamine Oxalate by DFT Method

    Article • Indian Journal of Science and Technology, September 2017, Indian Society for Education and Environment

    Dr Manimaran D

  5. Molecular docking and structural analysis of non-opioid analgesic drug acemetacin with halogen substitution: A DFT approach

    Article • Journal of Molecular Structure, November 2016, Elsevier

    Dr Manimaran D

  6. Vibrational and electronic profiles, molecular docking and biological prediction of 5-methoxy-1-[(5-methoxy- 1H-indol-2-yl)methyl]-1H-indole: Experimental and theoretical investigations

    Article • Journal of Theoretical and Computational Chemistry, September 2016, World Scientific Pub Co Pte Lt

    Dr Manimaran D

  7. Structure and Nonlinear Optical Properties Study of 2-Amino-5-Chlorobenzophenone: (A Spectroscopic Approach)

    Article • Oriental Journal Of Chemistry, March 2016, Oriental Scientific Publishing Company

    Dr Manimaran D

  8. Spectroscopic Investigations, DFT Calculations, and Molecular Docking Studies of the Anticonvulsant (2E)-2-[3-(1H-Imidazol-1-yl)-1-phenylpropylidene]-N-(4-methylphenyl)hydrazinecarboxamide

    Article • Journal of Spectroscopy, January 2016, Hindawi Publishing Corporation

    Dr Manimaran D

  9. Structural Properties and Biological Prediction of ({[(1E)-3-(1H-Imidazol-1-yl)-1-phenylpropylidene] amino}oxy)(4-methylphenyl)methanone: An In Silico Approach

    Article • Symmetry, December 2015, MDPI AG

    Dr Manimaran D

  10. FT-IR and Raman spectroscopic and DFT studies of anti-cancer active molecule N-{(meta-ferrocenyl) Benzoyl} – l-Alanine – Glycine ethyl ester

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

    Dr Manimaran D

  11. Structure and nonlinear optical property analysis of l-Methioninium Oxalate: A DFT approach

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

    Dr Manimaran D

  12. Quantum chemical computations, vibrational spectroscopic analysis and antimicrobial studies of 2,3-Pyrazinedicarboxylic acid

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

    Dr Manimaran D

  13. Design, Synthesis and Vibrational Spectroscopic Studies of the Nonlinear Optical Crystal l-histidine Potassium Chloride

    Article • Materials Today Proceedings, January 2015, Elsevier

    Dr Manimaran D

  14. Vibrational spectroscopic studies and DFT computation of the nonlinear optical molecule L-Valinium formate

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, May 2014, Elsevier

    Dr Manimaran D

  15. FT-IR, FT-Raman spectra and other molecular properties of 2,4- dichlorobenzonitrile: A interpretation by a DFT study

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, April 2014, Elsevier

    Dr Manimaran D, Mauricio Alcolea Palafox

  16. Growth and vibrational spectral investigation of nonlinear optical crystal L-Argininum Perchlorate-DFT study

    Article • Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy, May 2013, Elsevier

    Dr Manimaran D

  17. FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole

    Article • Optics and Spectroscopy, April 2013, Pleiades Publishing Ltd

    Dr Manimaran D