Ministry of Education
Thirunavukkarasu Manickavelu
VIDWAN ID: 357342

Dr Thirunavukkarasu Manickavelu

Male Doctor of Philosophy
Assistant Professor | School of Science and Humanities
Vel Tech Rangarajan Dr. Sagunthala R & D Institute of Science & Technology, Chennai
Tamil Nadu
Expertise: Atomic, Molecular and Chemical
ORCID 0000-0002-2926-0362 Scopus 57221590487 ResearcherID HNR-8613-2023 Google Scholar KQqaAdUAAAAJ
View older version My Dashboard
20 Publications
0 Projects
37 Scopus Citations
221 CrossRef
11 Years 6 Months Total Experience
Publications
20 Total
Articles
20
Activity

No publication activity to display.

Scopus Scopus
37 Citations
2 h-index
CrossRef CrossRef
221 Citations
9 h-index
Google Scholar Google Scholar

Loading Scholar statistics...

Professional Recognition

No Data Found

There is currently nothing to display here.

Community & Membership

No Data Found

There is currently nothing to display here.

No Data Found

There is currently nothing to display here.

Personal Details

Doctor of Philosophy
2022
N/A
Master of Philosophy
2017
N/A
Master of Science
2013
N/A
Assistant Professor
Dec 2022 – Present
Vel Tech Rangarajan Dr. Sagunthala R & D Institute of Science & Technology, Chennai | School of Science and Humanities
Assistant Professor
Jun 2014 – Feb 2022
Indo-American College,Cheyyar-604407 | Physics
Physical Sciences
Atomic, Molecular and Chemical

Related Profiles

Scholarly Work

No Data Found

There is currently nothing to display here.

No Data Found

There is currently nothing to display here.

No Data Found

There is currently nothing to display here.

Scholarly Publications

Molecular level solvent interaction (microscopic), electronic, covalent assembly (RDG, AIM & ELF), ADMET prediction and anti-cancer activity of 1-(4-Fluorophenyl)-1-propanone): Cytotoxic agent

Journal Article
Journal of Molecular Liquids. Year: 2023. Volume: 380 , Pages: 121714 .
Authors: Thirunavukkarasu, M.; Prabakaran, P.; Saral, A.; Alharbi, Naiyf S.; Kadaikunnan, Shine; Kazachenko, Aleksandr S.; Muthu, S.
DOI 10.1016/J.MOLLIQ.2023.121714 Crossref Crossref: 24

Theoretical conformations studies on 2-Acetyl-gamma-butyrolactone structure and stability in aqueous phase and the solvation effects on electronic properties by quantum computational methods

Journal Article
Computational and Theoretical Chemistry. Year: 2022. Volume: 1208 , Pages: 113534 .
Authors: Thirunavukkarasu, M.; Balaji, G.; Muthu, S.; Sakthivel, S.; Prabakaran, P.; Irfan, Ahmad
DOI 10.1016/J.COMPTC.2021.113534 Crossref Crossref: 19

Investigations into the electronic properties of lorlatinib, an anti-cancerous drug using DFT, wavefunction analysis and MD simulations

Journal Article
VIETNAM JOURNAL OF CHEMISTRY. Year: 2022. Volume: 60 , Issue: 3 , Pages: 307-316 .
Authors: Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Thirunavukkarasu, M.
DOI 10.1002/VJCH.202100116 Crossref Crossref: 6

Experimental spectroscopic investigations, solute-solvent interactions, topological analysis and biological evaluations of N-(9-Fluorenylmethoxycarbonyloxy)succinimide: An effective agent in anti-breast cancer activity

Journal Article
Journal of Molecular Liquids. Year: 2022. Volume: 362 , Pages: 119756 .
Authors: Thirunavukkarasu, M.; Balaji, G.; Shanthi, D.; Prabakaran, P.; Irfan, Ahmad; Muthu, S.
DOI 10.1016/J.MOLLIQ.2022.119756 Crossref Crossref: 11

DFT investigations on conformational analysis, solvation effects, reactivity studies, chemical descriptors and docking of two anti-cancerous drugs, Lenvatinib and Regorafenib

Journal Article
VIETNAM JOURNAL OF CHEMISTRY. Year: 2022. Volume: 60 , Issue: 5 , Pages: 636-652 .
Authors: Al-Otaibi, Jamelah S.; Ullah, Zakir; Mary, Y. Sheena; Mary, Y. Shyma; Soman, Sreejit; Thirunavukkarasu, M.; Kwon, Hyung Wook
DOI 10.1002/VJCH.202200013 Crossref Crossref: 13

Computational investigation, effects of polar and non-polar solvents on optimized structure with topological parameters (ELF, LOL, AIM, and RDG) of three glycine derivative compounds

Journal Article
Structural Chemistry. Year: 2022. Volume: 33 , Issue: 4 , Pages: 1295-1319 .
Authors: Manickavelu, Thirunavukkarasu; Govindrajan, Balaji; Sambantham, Muthu; Panneerselvam, Prabakaran; Irfan, Ahmad
DOI 10.1007/S11224-022-01930-2 Crossref Crossref: 19

Structural elucidation, solvent (polar and non-polar) effect on electronic characterization, non-covalent charge interaction nature, topology and pharmacological studies on NLO active L-argininium methanesufonate

Journal Article
Journal of Molecular Liquids. Year: 2023. Volume: 385 , Pages: 122315 .
Authors: Kanagathara, N.; Thirunavukkarasu, M.; Selvaraj, S.; Kumar, A. Ram; Marchewka, M. K.; Janczak, Jan
DOI 10.1016/J.MOLLIQ.2023.122315 Crossref Crossref: 19

Solvation Effects, Reactivity Studies and Molecular Dynamics of Two Phosphonic Acids - Theoretical Investigation

Journal Article
Polycyclic Aromatic Compounds. Year: 2023. Volume: 43 , Issue: 8 , Pages: 6804-6818 .
Authors: Al-Otaibi, Jamelah S.; Mary, Y. Sheena; Mary, Y. Shyma; Soman, Sreejit; Thirunavukkarasu, M.
DOI 10.1080/10406638.2022.2126504 Crossref Crossref: 7
Showing 1 to 8 of 20 publications