POST GRADUATE DEPARTMENT OF PHYSICS
Department of Physics
Department of Physics

Journal Publications

  •       A.Ram Kumar, C.Senthamil Selvi, S.Selvaraj, G.P.Sheeja Mol,  and P.Jayapraksh, In Silico studies on the molecular geometry,FMO, Mulliken charges,MESP,ADME and Molecular docking prediction of Pyragallol Caboxaldehyde as potential anti-tumor agents, Physical Chemistry Research,   Vol. 12, No. 2, 305-320, June 2024. ISSN: 2322-5521.
  • Nisha S. Panicker, Josmi John , Rejeena , C. S. Menon , Rose Leena Thomas, Vinoy Thomas, Effect of annealing temperature and -irradiation on the electrical conductivity of stacked naphthalocyanine(SnNc - VoNc) thin films, JOURNAL OF OPTOELECTRONICS AND ADVANCED MATERIALS Vol. 26, No. 11-12, November - December 2024, p. 523 – 528.
  • A. Ram Kumar, S. Selvaraj , G. P. Sheeja Mol , M. Selvaraj  , L. Ilavarasan, Sarvesh kumar Pandey, P. Jayaprakash,  Shikha Awasthi, Omeer Albormani, A. Ravi, Synthesis, solvent-solute interactions (polar and non-polar), spectroscopic insights, topological aspects, Fukui functions, molecular docking, ADME, and donor-acceptor investigations of 2-(trifluoromethyl)benzimidazole: A promising candidate for antitumor pharmacotherapy, Journal of Molecular Liquids, (2024).
  • A. Ram Kumar ,S. Selvaraj  , P. Rajkumar  , J. Dhanalakshmi  , Mohanraj Kumar  , Senthil Kumar Nagarajan  , P. Jayaprakash  , G.P. Sheeja Mol  , Shikha Awasthi  , Sarvesh Kumar Pandey ,Insights into structural, vibrational, and chemical shift characteristics, solvents impact (polar and nonpolar) on electronic properties and reactive sites, ADMET predictions, and ligand-protein interactions for antiviral drugs safrole and isosafrole: An in-silico approach, Chemical Physics Impact 8(2024) 100443.
  • Modeling the structural and reactivity properties of capsaicin [(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide] wavefunction-dependent properties, pharmacokinetics, in-silico analysis, and molecular dynamics simulation, G.P. Sheeja Mol  , D. Aruldhas  , I. Hubert Joe  , S. Selvaraj  , Anuroopa G. Nadh , Journal of Molecular Structure, Volume 1304, (2024) 137591,
  • A. Ram Kumar , L. Ilavarasan , G. P. Sheeja Mol , S. Selvaraj , Mohammad Azam , P. Jayaprakash , M. Kesavan , Mahboob Alam , J. Dhanalakshmi , Saud I. Al-Resayes , A. Ravi, Spectroscopic (FT-IR, FT-Raman, UV-Vis and NMR) and computational (DFT, MESP, NBO, NCI, LOL, ELF, RDG and QTAIM) profiling of 5-chloro-2-hydroxy-3-methoxybenzaldehyde: A promising antitumor agent, Journal of Molecular Structure , 1294 (2024) 136974
  • C.Kumaran, I.Bhaskaran, P.Raj Kumar, Sankar Selvaraj, Sheeja Mol.G.P,  Structural optical and magnetic properties of Palladium (Pd) doped Cerium Oxide(CeO2) nanoparticles, Physical Chemistry Research, Vol.12, No.2,407-417, June 2024. ISSN: 2322-5521.
  • Dr. Bincy John, The effect of sulfate-based precursors on the formation of Cu2ZnSnS4 nanoparticles through temperature tuned solvothermal technique, Journal of  Material Science: Materials Electronics, 2023.
  • J. John, V. Thomas, R. G.S. Sofin, P. R.R. Kumar, T. T. Fernadez, H. Thomas, G. Jose, N. V. Unnikrishnan, Rose Leena Thomas, Discrete dipole approximation studies of silver nano crystals in sol-gel silica, Journal of Optoelectronics and Advanced Materials,25, 9-10,2023
  • Ajay A. Pillai , Josmi John , Raji Mary Mathew , Jasmine Jose , Elza Susan Zacharia , Rani Abraham , Nisha Mariam Johnson , Rose Leena Thomas , Vinoy Thomas, Enhanced output performance of graphene oxide based triboelectric nanogenerators via plasmon coupling, Materials Science and Engineering: B, 296,2023
  • Sheeja Mol G. P. , Arul Dhas , I. Hubert Joe  and Anuroopa G. Nadh, An Investigation on the Molecular Structure, Anti-Inflammatory Ability of (E) -3-(3-Chlorophenyl)- N-(4-Hydroxy-3-Methoxy Benzyl)Acryl Amide: DFT Calculations and Docking Simulations, Polycyclic Aromatic Compounds, (2023), : https://doi.org/10.1080/10406638.2023.2228452 ISSN: 1563-5333
  • . A.Ram Kumar , S. Selvaraj  , P. Anthoniammal , R.Jothi Ramalingam , Ranjith Balu , P. Jayaprakash , G.P.Sheeja Mol, Comparison of spectroscopic, structural , an d molecular dockin g studie s of 5 - nitr o - 2 -fluoroaniline an d 2 -nitr o - 5 -fluoroaniline: An attempt on fluoroaniline isomers, Journal of Fluorine Chemistry, (2023) Vol. 270, 110167, 10.1016/j.jfluchem.2023.110167., ISSN : 1873-3328
  •  A. Ram Kumar, S. Selvaraj,Mohammad Azam, G.P. Sheeja Mol, N. Kanagathara, Mahboob Alam,  and P. Jayaprakash ,Spectroscopic, Biological, and Topological Insights on Lemonol as a Potential Anticancer Agent,  ACS Omega 2023, 8, 34, 31548–31566 https://doi.org/10.1021/acsomega.3c04922, ISSN : 2470-1343.
  •  G.P.Sheeja Mol, D. Aruldhas, I.Hubert Joe , Chemical reactivity, molecular electrostatic potential and   in-silico analysis on benzimidazole fungicide benomyl, HELIYON,  (2022) , Vol.8, issue 11,e11417, ISSN: 2405-8440.
  •  Quantum chemical investigations, Hirschfeld surface analysis, FMO, MESP, topology analyses, in-silico analysis and pharmacokinetics properties of 3-chloro-N-(4-hydroxy- 3-methoxy-benzyl)-2,2-dimethyl propanamide [CHMBDP] Sheeja Mol G.P.,D. Aruldhas, I. Hubert Joe, S. Selvaraj, Anuroopa G. Nadh, and Jitha Kunhikrishnan , Molecular crystals and liquid crystals.
  •  Exploring the potential of diosgenin as a promising antitumor agent through comprehensive spectroscopic characterization, solvent–solute interactions, topological properties, Hirshfeld surface, and molecular docking interactions with 2NZT and 2I1V proteins , A.Ram Kumar,S.Selvaraj, A.S.Vickram, G.P.Sheeja Mol, Shikha Awasthi, M.Thirunavukkarasu, Manickam Selvaraj, Sanjay Basumatary, Spectrochimica Acta Part A,  327(2025) 125349.
  • Dr. Morris Marieli Antoinette, Optical Studies of doped Nd2O3 nanoparticles for LED applications, IOP Conference Series Materials Science and Engineering, 2022
  • Dr Julin Joseph, Comparative photoluminescence study of nitrogen-doped with boron and sulphur, Luminescence, 2022
  • Bincy John, Anju Mathew, K. S. Steny, Arunima Shaji, and G. Genifer Silvena, The effect of sulfate-based precursors on the formationof Cu2ZnSnS4 nanoparticles through temperature tuned solvothermal technique, J Mater Sci: Mater Electron (2023) 34:1270
  • Ajay A. Pillai, Josmi John, Raji Mary Mathew, Jasmine Jose, Elza Susan Zacharia, Rani Abraham, Nisha Mariam Johnson, Rose Leena Thomas, Vinoy Thomas, Enhanced output performance of graphene oxide based triboelectric nanogenerators vi a plasmon coupling, Materials Science and Engineering: B, Volume 296, October 2023, 116637
  • Dr. Sr. Bincy John, Surfactant free and temperature dependent phase formation of ternary Cu3SnS4 nanoparticles by solvothermal process, Materials Today Proceedings, ISSN - 2214-7853, 2022, https://doi.org/10.1016/j.matpr.2022.02.409
  • Dr. Sr. Morris Marieli AntoinetteOne-step electrodeposition of lead oxide doped-polypyrrole for 3D high performance supercapacitors, AIP Conference Proceedings, ISSN- 0094-243X, 2021