Ministry of Education
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Dr Thirunavukkarasu Manickavelu

vidwan id: 357342
Male

Assistant Professor, School of Science and Humanities
Vel Tech Rangarajan Dr. Sagunthala R & D Institute of Science & Technology, Chennai

Orchid Icon 0000-0002-2926-0362 Google Scholar Icon 57221590487 Researcher Icon HNR-8613-2023 Google Scholar Icon KQqaAdUAAAAJ

Expertise

  • Atomic, Molecular and Chemical

Publications

Total Articles 14
Books 0
Proceedings 0

Publications

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Scopus

Citations 81
h-index 5

CrossRef

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Citations 189
h-index 8
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Professional Recognition

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Community & Membership

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Bio

Atomic, Molecular and Chemical

Personal Details

  • Male
  • Assistant Professor , Vel Tech Rangarajan Dr. Sagunthala R & D Institute of Science & Technology, Chennai
  • School of Science and Humanities, Vel Tech Rangarajan Dr. Sagunthala R and D Institute of Science and Technology
Ph.D.,
Other Institute 2022
M. Phil.,
Other Institute 2017
M. SC.,
Other Institute 2013
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

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Co-Authors (2)

Shahidha

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N

Dr N Sheeja

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Scholarly Work

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Scholarly Publications

Conformational, Reactivity Analysis, Wavefunction-Based Properties, Molecular Docking and Simulations of a Benzamide Derivative with Potential Antitumor Activity-DFT and MD Simulations

Open Access
Article
Polycyclic Aromatic Compounds. Year: 2022.
Authors: Jamelah S. Al-Otaibi ., Y. Sheena Mary ., Y. Shyma Mary ., M. Thirunavukkarasu ., Ravi Trivedi ., Brahmananda Chakraborty .,
DOI 10.1080/10406638.2022.2039229
3 4

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

Open Access
Article
VIETNAM JOURNAL OF CHEMISTRY. Year: 2022. Volume: 60 , Issue: 5 , Pages: 636-652 .
Authors: Al-Otaibi J.S.;Ullah Z.;Mary Y.S.;Mary Y.S.;Soman S.;Thirunavukkarasu M.;Kwon H.W.
DOI 10.1002/vjch.202200013
10 1

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

Open Access
Article
VIETNAM JOURNAL OF CHEMISTRY. Year: 2022. Volume: 60 , Issue: 3 , Pages: 307-316 .
Authors: Al-Otaibi J.S.;Mary Y.S.;Mary Y.S.;Thirunavukkarasu M.
DOI 10.1002/vjch.202100116
3

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

Open Access
article
Polycyclic Aromatic Compounds. Year: 2022.
Authors: Jamelah S. Al-Otaibi ., Y. Sheena Mary ., Y. Shyma Mary ., Sreejit Soman ., M. Thirunavukkarasu .,
DOI 10.1080/10406638.2022.2126504
5

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

Open Access
Article
Polycyclic Aromatic Compounds. Year: 2022.
Authors: Jamelah S. Al-Otaibi ., Y. Sheena Mary ., Y. Shyma Mary ., Sreejit Soman ., M. Thirunavukkarasu .,
DOI 10.1080/10406638.2022.2126504
5 1

Computational spectroscopic investigations on structural validation with IR and Raman experimental evidence, projection of ultraviolet-visible excitations, natural bond orbital interpretations, and molecular docking studies under the biological investigation on N-Benzyloxycarbonyl-L-Aspartic acid 1-Benzyl ester

Open Access
Data Paper
Chemical Data Collections. Year: 2021. Volume: 31 .
Authors: M. Thirunavukkarasu ., G. Balaji ., S. Muthu ., B  R. Raajaraman ., P. Ramesh .,
DOI 10.1016/j.cdc.2020.100622
59 27