Dr.Renjith Thomas

Assistant Professor Stage-3
Full Name:
Renjith Thomas
Assistant Professor Stage-3
MSc, PhD, LTh
Area of Specialization:
Theoretical Organic Chemistry/ Computational Chemistry
Books Published:
Editor of Proceedings -1 (National Conference) SUBJECT REFEREE Journal of Chemical and Engineering Data, American Chemical Society International Journal of Computational and Theoretical Chemistry
Papers Presented:
  1. Poster Presentation, International Conference on Materials Science, St Berchmans College, Changanassery, September 2018
  2. Poster Presentation, National Seminar on Recent Advances in Chemical Science (RACS 2017), University College, Trivandrum, March 13 & 14, 2017 - Paper Presentation.
  3. Poster Presentation, National Seminar on Supramolecular and Nanochemistry, Assumption College, Changanaserry, November 16 & 17, 2017 - Paper Presentation.
  4. Oral paper presentation, National Seminar on Advances in Natural Products Chemistry – Thiruchirapalli- February 2002
Papers Published:
Published Papers 2019
  1. Renjith Thomas*, Sheena Mary.Y, S.Resmi, B. Narayana, S. B.K. Sarojini, Stevan Armaković, Sanja J. Armaković, G. Vijayakumar, C.Van  Alsenoy, " Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential" Journal of Molecular Structure 1181 (2019): 455–466.
  2. Aristote Matondo, Renjith Thomas, Philippe Vuka Tsalu, Christian Tshikala Mukeba , Virima Mudogo, " α-Methylation and α-Fluorination Electronic Effect on the Regioselectivity of carbonyl groups of Uracil by H and Triel bonds in the Interaction of U, T and 5FU with HCl and TrH3 (Tr = B, Al)" Journal of Molecular Graphics and Modelling, 88 (2019): 237-246.
  3. Renjith Thomas*, Sheena Mary, K.S.Resmi, B. Narayana, B.K. Sarojini, G.Vijayakumar, C.Van Alsenoy, "Two neoteric pyrazole compounds as potential anti-cancer agents: Synthesis, electronic structure, physico-chemical properties and docking analysis" Journal of Molecular Structure 1181 (2019): 599-612.
  4. Al-Otaibi, Jamelah S, Y Sheena Mary, Y Shyma Mary, C Yohannan Panicker, and Renjith Thomas. “Cocrystals of Pyrazinamide with p -Toluenesulfonic and Ferulic Acids : DFT Investigations and Molecular Docking Studies.” Journal of Molecular Structure 1175 (2019): 916–26.
  5. Kavitha Rani P, R, Y Sheena Mary, Annette Fernandez, Anu Priya S, Y Shyma Mary, and Renjith Thomas. “Single Crystal XRD , DFT Investigations and Molecular Docking Study of 2- Naphthalene-1 , 4-Dione as a Potential Anti- Cancer Lead Molecule.” Computational Biology and Chemistry 78, (2019): 153–64.
  1. Hossain, Mossaraf, Renjith Thomas, Y. Sheena Mary, K.S.Resmi, Stevan Armaković, Sanja J. Armaković, Ashis Kumar Nanda, G. Vijayakumar, and C. Van Alsenoy. “Understanding Reactivity of Two Newly Synthetized Imidazole Derivatives by Spectroscopic Characterization and Computational Study.” Journal of Molecular Structure 1158 (2018): 176–96.
  2. Saadouni Hosna, Daron E. Janzen, Y. Sheena Mary, K.S. Resmi, Renjith Thomas, Rzaigui Mohamed, Smirani Wajda, "Molecular structure, spectroscopic, dielectric and thermal study, nonlinear optical properties, natural bond orbital, HOMO-LUMO and molecular docking analysis of (C6Cl2O4) (C10H14N2F)2·2H2O." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 204 (2018) 328–339.
  3. Mary, Y Sheena, Pankaj B Miniyar, Y Shyma Mary, K S Resmi, Sanja J Armakovi, Renjith Thomas, C Yohannan Panicker, and Stevan Armakovi. “Synthesis and Spectroscopic Study of Three New Oxadiazole Derivatives with Detailed Computational Evaluation of Their Reactivity and Pharmaceutical Potential.” Journal of Molecular Structure 1173 (2018): 469–80.
  4. Renjith Thomas, Mossaraf Hossain, Y. Sheena Mary, K.S.Resmi, Stevan Armaković, Sanja J. Armaković, Ashis Kumar Nanda, Vivek Kumar Ranjan, G. Vijayakumar, and C. Van Alsenoy. “Spectroscopic Analysis of 8-Hydroxyquinoline Derivatives and Investigation of Its Reactive Properties by DFT and Molecular Dynamics Simulations.” Journal of Molecular Structure 1156 (2018): 336–47.
  5. Renjith Thomas*, Ebin Varghese, Minu Elizabeth Thomas, Jaimin George, and G Vijayakumar. “Time Dependent Density Functional Study on the Electronic Spectra of Some Derivatives of Triafulvalene.” Canadian Chemical Transactions 3, no. 4 (2016): 438–45.
  6. Varghese, M. K.; Renjith Thomas Unnikrishnan, N. V.; Sudarsanakumar, C. " Molecular Dynamics Simulations of XDNA." Biopolymers 91 (5) (2009), 351–360.
Invited Lectures:
  1. Linus Pauling Lecture in Advanced Quantum Mechanics- Bishop Kurialcherry College May 2006
  2. Chemistry in the context of Science and Religion- K Institute for Science and Religion November 2006
  3. Thermodynamics of Biological Systems- MACFAST College, Thiruvilla, September 30, 2014
  • Fellow, IISH
  • Nordic Society of Phenomenology
  • Collaborative Computational Project for Biomolecular Simulation, UK
  • Molecular Society, India
Official Roles in the College:
Student Union Adviser (2018-) Secretary, Alumni Association (2013-) Secretary and elected member, Staff Council (2014-2017) Member, Curriculum Revision Committee (2018-)