Dr.Renjith Thomas

Assistant Professor Stage-3 & Head

[email protected]
Full Name:
Renjith Thomas
Assistant Professor Stage-3 & Head
Mobile Number:
Residence Phone Number:
Educational Qualifications:
MSc, PhD, LTh
Awards and Achievements:
  • Listed in the Stanford University-Elsevier list of world top scientists in the ‘’Rising Stars’’ list of 2020.
  • Royal Chemical Society Research Grant Fund Award (2021)
  • Editorial Board Member, BMC Chemistry (Springer Nature group:  IF 2.61) (2020-)
  • Topic Editor,  Frontiers in Chemistry special issue (IF 5.22) (2021)
  • Gold Medal, Gandhigram Rural University (2002)
  • Young Scientist Program, Government of India (2002) at Tropical Botanical Garden and Research Institute (TBGRI)
Area of Specialization:
Theoretical Chemistry, Theoretical solvation science, Chemical bonding- Non covalent interactions, Structural investigations, Drug design
Research Supervising:
Doctoral Committee Member, University of Kinshasa, Congo
Papers Presented:
  1. Poster Presentation, RSC-PCCP & IISER Desktop conference, May 2021 (Renjith Thomas)
  2. Poster Presentation, RSC-PCCP & IISER Desktop conference, May 2021 (Arnav Paul)
  3. Oral Presentation, National Conference on Analytical and Materials Chemistry for Everyday Life, February 2021 (Dr T Pooventhiran, Best presentation award)
  4. Oral Presentation, India International Science Foundation, November 2020 (Utsab Bhattacharya)
  5. Oral Presentation, India International Science Foundation, November 2020 (Arnav Paul)
  6. Poster Presentation, International Conference on Supramolecular and Photochemistry, January 2020 (Renjith Thomas)
  7. Presentation, Virtual Conference on Computational Chemistry, August 2019 (Athira M John)
  8. Poster Presentation, International Conference on Functional Materials St Berchmans College, Changanassery, September 2018 (Renjith Thomas)
  9. Poster Presentation, National Seminar on Recent Advances in Chemical Science (RACS 2017), University College, Trivandrum, March 13 & 14, 2017 - Paper Presentation. (Renjith Thomas)
  10. Poster Presentation, National Seminar on Supramolecular and Nanochemistry, Assumption College, Changanaserry, November 16 & 17, 2017 - Paper Presentation. (Renjith Thomas)
  11. Oral presentation, National Seminar on Advances in Natural Products Chemistry – Thiruchirapalli- February 2002 (Renjith Thomas)
  12. Linus Pauling Lecture in Advanced Quantum Mechanics- Bishop Kurialcherry College May 2006 (Renjith Thomas)
Papers Published:
H-index: 20 (November, 2021)
Papers published: 85 (November, 2021)
For updated list of papers, please see the following links
Google Scholar Link
ORCHID ID: 0000-0003-0011-633X
WoS: P-7028-2019
SCOPUS: 55481779800
VIDWAN: 218274
Important representative publications:
[1]         A. Irfan, M. Imran, M. Khalid, M.S. Ullah, N. Khalid, M.A. Assiri, R. Thomas, S. Muthu, M.A.R. Basra, M. Hussein, others, Phenolic and flavonoid contents in Malva sylvestris and exploration of active drugs as antioxidant and anti-COVID19 by quantum chemical and molecular docking studies, J. Saudi Chem. Soc. (2021) 101277.
[2]         P. Surendar, T. Pooventhiran, S. Rajam, U. Bhattacharyya, A. Bakht, R. Thomas, Quasi liquid Schiff bases from trans -2-hexenal and cytosine and l -leucine with potential antieczematic and antiarthritic activities : Synthesis , structure and quantum mechanical studies, J. Mol. Liq. 334 (2021) 116448.
[3]         U. Bhattacharyya, R. Thomas, R. Puchta, The proton sponge 1,8-bis(dimethylamino)naphthalene : The quicker-picker-upper also for s-block metal cations?, Chem. Phys. Lett. (2021) 138735.
[4]         T. Pooventhiran, N. Al-Zaqri, A. Alsalme, U. Bhattacharyya, R. Thomas, Structural aspects, conformational preference and other physico-chemical properties of Artesunate and the formation of self-assembly with graphene quantum dots: A first principle analysis and surface enhancement of Raman activity investigation, J. Mol. Liq. 325 (2021) 114810.
[5]         N. Al-Zaqri, T. Pooventhiran, F.A. Alharthi, U. Bhattacharyya, R. Thomas, Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib, J. Mol. Liq. 325 (2021) 114765.
[6]         U. Bhattacharyya, T. Pooventhiran, R. Thomas, Adsorption of the drug bempedoic acid over different 2D/3D nanosurfaces and enhancement of Raman activity enabling ultrasensitive detection: First principle analysis, Spectrochim. Acta Part A Mol. Biomol. Spectrosc. (2021) 119630.
[7]         F.A. Alharthi, N. Al-Zaqri, A. Alsalme, A. Al-Taleb, T. Pooventhiran, R. Thomas, D.J. Rao, Excited-state electronic properties, structural studies, noncovalent interactions, and inhibition of the novel severe acute respiratory syndrome coronavirus 2 proteins in Ripretinib by first-principle simulations, J. Mol. Liq. 324 (2021) 115134.
[8]         A. Alsalme, T. Pooventhiran, N. Al-Zaqri, D.J. Rao, R. Thomas, Structural, physico-chemical landscapes, ground state and excited state properties in different solvent atmosphere of Avapritinib and its ultrasensitive detection using SERS/GERS on self-assembly formation with graphene quantum dots, J. Mol. Liq. 322 (2021) 114555.
[9]         Z. Ullah, R. Thomas, Markovnikov versus anti-Markovnikov addition and C–H activation: Pd–Cu synergistic catalysis, Appl. Organomet. Chem. 35 (2021) e6077.
[10]      A.M. John, R. Thomas, S.P. Balakrishnan, N. Al-Zaqri, A. Alsalme, I. Warad, Diazo-pyrazole analogues as photosensitizers in dye sensitised solar cells: tuning for a better photovoltaic efficiency using a new modelling strategy using experimental and computational data, Zeitschrift Für Phys. Chemie. (2020) 000010151520201722.
[11]      A. Alsalme, T. Pooventhiran, N. Al-Zaqri, D.J. Rao, S.S. Rao, R. Thomas, Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity, J. Mol. Model. 26 (2020) 341.
[12]      Y.S. Mary, V.S. Kumar, Y.S. Mary, R. K. S., R. Thomas, Detailed Quantum Mechanical Studies on Three Bioactive Benzimidazole Derivatives and Their Raman Enhancement on Adsorption over Graphene Sheets, Polycycl. Aromat. Compd. (2020) 1–10.
[13]      Z. Ullah, R. Thomas, Mechanistic insights can resolve the low reactivity and selectivity issues in intermolecular Rauhut–Currier (RC) reaction of γ-hydroxyenone, New J. Chem. 44 (2020) 12857–12865.
[14]      N. Al-Zaqri, T. Pooventhiran, A. Alsalme, I. Warad, A.M. John, R. Thomas, Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins, J. Mol. Liq. 318 (2020) 114082.
[15]      D. Majumdar, Y. Agrawal, R. Thomas, Z. Ullah, M.K. Santra, S. Das, T.K. Pal, K. Bankura, D. Mishra, Syntheses, characterizations, crystal structures, DFT/TD-DFT, luminescence behaviors and cytotoxic effect of bicompartmental Zn (II)-dicyanamide Schiff base coordination polymers: An approach to apoptosis, autophagy and necrosis type classical cell death, Appl. Organomet. Chem. 34 (2020).
[16]      A. Matondo, R. Thomas, P.V. Tsalu, C.T. Mukeba, V. Mudogo, α-methylation and α-fluorination electronic effects 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), J. Mol. Graph. Model. 88 (2019) 237–246.
[17]      R. Thomas, Y.S. Mary, K.S. Resmi, B. Narayana, S.B.K. Sarojini, S. Armaković, S.J. Armaković, G. Vijayakumar, C. Van Alsenoy, B.J. Mohan, Synthesis and spectroscopic study of two new pyrazole derivatives with detailed computational evaluation of their reactivity and pharmaceutical potential, J. Mol. Struct. 1181 (2019) 599–612.
Book/ Book Chapters Published:
Books and book chapters
  1. Photosensitizers and Applications (Edited by Davor Mrgetic and Renjith Thomas), Nova Publishers 2021
  2. Chapter: Renjith Thomas, T Pooventhiran, Comprehensive quantum mechanical study of structural features, reactivity, molecular properties and wave function based characteristics of Capmatinib, (Ed Dibya R Pai) Advanced Materials and Nano systems: Theory and Experiment, Bentham Publishers, 2021
  3. Chapter : Renjith Thomas, Anila Skariah Sars Covid-2 : Vaccines, drug repurposing, global heath security and mental well-being, (Ed Dhiraj Singh) Covid-10 Crisis and India, New Delhi June 2021
  1. Invited Talk, International Conference on Materials Science and Applied Physics, Mizoram University, November, 2021
  2. Invited Talk. International Conference on Materials Sciene, Turkey, October, 2021
  3. Invited Talk, National Webinar, American College, Madurai, June 2021
  4. Invited Talk, Shri Shivaji Science College, Amravati, Maharashtra, April 2021
  5. Invited talk, Muthiyammal College of Arts and Science, Tamil Nadu, April 2021
  6. Invited Talk, St Joseph’s College, Allapuzha, February 2020
  7. Invited Talk, National Seminar, Adikavi Nannaya University, Andra Pradesh, May 2020
  8. Invited Talk, National Seminar, SN College, Chathannur, November 2017
  9. Invited Talk, Thermodynamics of Biological Systems- MACFAST College, Thiruvilla, September, 2014
  10. Invited Talk, Chemistry in the context of Science and Religion- K Institute for Science and Religion November 2006
NPTEL course (2018) : Atomic structure and chemical Bonding offered by Indian Institute of Technology Madras.
  • UGC Project (2006-2008) Title- Theoretical investigations into the factors affecting rotation about single bonds.
  • UGC Project (2013-2015) Title- Computational studies on the substituent effects on cycloaddition reactions.
  • King Abudulaziz University Deanship Combined Project (2021-): Designing a molecular library of anticancer heterocycles with imidazole and pyrazole backbone using insilicotools: Detailed structural profile and dynamics
  • RSC Research Fund Grant (2021): QM/MM modelling of deexcitation dynamics after photo-excitation in solution of photosensitisers used in photodynamic therapy
Reviewer of scientific papers in ACS Applied Nano Materials, Journal of Chemical and Engineering Data, International Journal of Computational and Theoretical Chemistry, Journal of Molecular Modeling, Spectroscopy Letters, Journal of Molecular Structure, Journal of Theoretical and Computational Chemistry, SpectrochemicaActa A: Biomolecular Spectroscopy, Indonesian Journal of Chemistry, Chemistry Select, Physical Chemistry Chemical Physics, Powder Technology, Computational Biology and Chemistry, Journal of Cluster Science, CrystEngComm, Journal of Biomolecular Structure and Dynamics, Korean Bulletin of Chemistry, Chemical Physics Letters, Nature Scientific Reports, In Silico Pharmacology
  1. Fellow, Indian Chemical Society
  2. Life member, Indian Society for Atomic and Molecular Physics
  3. Member, Royal Chemical Society
  4. Member, Chinese Chemical Society
  5. Member, American Chemical Society
  6. Member, Kerala Academy of Sciences
  7. Member, International Association of Physical Chemists
  8. Member, International Association for Advancements in Materials
  1. Director, Department of Short-Term Programmes
  2. Director, Berchmans Centre for Interdisciplinary Research
  3. Member, IQAC
  4. Coordinator, Scholarships
  5. Advisor, College Union
  6. In charge, General Time Table of the college