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Thangaiyan Pooventhiran

Observed names: Pooventhiran Thangaiyan, Pooventhiran, T., T. Pooventhiran
ORCID: 0000-0002-7470-7178
Observed ORCID: 0000-0002-7470-7178
OpenAlex ID: A5084829640
Structural and physico-chemical evaluation of melatonin and its solution-state excited properties, with emphasis on its binding with novel coronavirus proteins
2020 · Nabil Al-Zaqri, T. Pooventhiran, et al. · Journal of Molecular Liquids · 80
Detailed spectra, electronic properties, qualitative non-covalent interaction analysis, solvatochromism, docking and molecular dynamics simulations in different solvent atmosphere of cenobamate
2020 · T. Pooventhiran, Utsab Bhattacharyya, et al. · Structural Chemistry · 74
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
2020 · Ali Alsalme, T. Pooventhiran, et al. · Journal of Molecular Liquids · 56
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
2021 · P. Surendar, T. Pooventhiran, et al. · Journal of Molecular Liquids · 53
Structure, conformational dynamics, quantum mechanical studies and potential biological activity analysis of multiple sclerosis medicine ozanimod
2020 · Nabil Al-Zaqri, T. Pooventhiran, et al. · Journal of Molecular Structure · 50
Design, synthesis, anticancer activity and molecular docking analysis of novel dinitrophenylpyrazole bearing 1,2,3-triazoles
2021 · Kotyada Suryanarayana, Alice Rinky Robert, et al. · Journal of Molecular Structure · 49
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
2020 · T. Pooventhiran, Nabil Al-Zaqri, et al. · Journal of Molecular Liquids · 49
Modelling the structural and reactivity landscapes of tucatinib with special reference to its wavefunction-dependent properties and screening for potential antiviral activity
2020 · Ali Alsalme, T. Pooventhiran, et al. · Journal of Molecular Modeling · 48
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Synthesis of three quasi liquid Schiff bases between hexanal and adenine, cytosine, and l-leucine, structural interpretation, quantum mechanical studies and biological activity prediction
2021 · P. Surendar, T. Pooventhiran, et al. · Journal of Molecular Liquids · 45
Detailed molecular structure (XRD), conformational search, spectroscopic characterization (IR, Raman, UV, fluorescence), quantum mechanical properties and bioactivity prediction of a pyrrole analogue
2020 · Katta Eswar Srikanth, A. Veeraiah, et al. · Heliyon · 36
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Indolyl-4H-chromenes: Multicomponent one-pot green synthesis, in vitro and in silico, anticancer and antioxidant studies
2022 · Parthiban Anaikutti, Mangalaraj Selvaraj, et al. · Journal of Molecular Structure · 35
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
2020 · Fahad A. Alharthi, Nabil Al-Zaqri, et al. · Journal of Molecular Liquids · 31
Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib
2020 · Nabil Al-Zaqri, T. Pooventhiran, et al. · Journal of Molecular Liquids · 31
Evaluation of the corrosion inhibition of mild steel by newly synthesized imidazo[1,2-a]pyridine derivatives: experimental and theoretical investigation
2023 · Walid Daoudi, Lei Guo, et al. · Journal of Adhesion Science and Technology · 30
Structural aspects, reactivity analysis, wavefunction based properties, cluster formation with helicene and subsequent detection from surface enhancement in Raman spectra of triclabendazole studies using first principle simulations
2021 · T. Pooventhiran, Renjith Thomas, et al. · Vietnam Journal of Chemistry · 29
Unprecedented biological evaluation of Zn(II) complexes supported by “Self-adjustable” acyclic diiminodipyrromethane Schiff’s bases: DFT, molecular docking; biological activity studies
2021 · Shiva Krishna Loke, Eswar Pagadala, et al. · Inorganic Chemistry Communications · 26
Schiff Bases from α-ionone with Adenine, Cytosine, and l-leucine Biomolecules: Synthesis, Structural Features, Electronic Structure, and Medicinal Activities
2021 · P. Surendar, T. Pooventhiran, et al. · Journal of Computational Biophysics and Chemistry · 25
Study of the structural features and solvent effects using ab initio molecular dynamics and energy decomposition analysis of atogepant in water and ammonia
2022 · T. Pooventhiran, Bhavya S. Gangadharappa, et al. · Journal of Molecular Liquids · 23
First-Principle Studies of Istradefylline with Emphasis on the Stability, Reactivity, Interactions and Wavefunction-Dependent Properties
2020 · Nabil Al-Zaqri, T. Pooventhiran, et al. · Polycyclic aromatic compounds · 23
Hydrogen bonds between valsartan and solvents (water and methanol): Evidences for solvation dynamics using local energy decomposition and abinitio molecular dynamics analysis
2022 · T. Pooventhiran, Renjith Thomas · Journal of Molecular Liquids · 20
Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics
2021 · T. Pooventhiran, Ephraim Felix Marondedze, et al. · Journal of Molecular Modeling · 20
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Study of interaction between different solvents and neurotransmitters dopamine, l-adrenaline, and l-noradrenaline using LED, QTAIM and AIMD
2022 · Renjith Thomas, T. Pooventhiran, et al. · Journal of Molecular Liquids · 19
Evidence of significant non-covalent interactions in the solution of Levetiracetam in water and methanol
2022 · Renjith Thomas, T. Pooventhiran, et al. · Journal of Molecular Liquids · 18
Solvent interaction and dynamics of neurotransmitters ‐aspartic acid and ‐glutamic acid with water and ethanol
2022 · T. Pooventhiran, Abdullah Yahya Abdullah Alzahrani, et al. · Journal of Molecular Structure · 15
Synthesis and biological studies of oxoquinolines: Experimental and theoretical investigations
2021 · Mohammed Afroz Bakht, Faizul Azam, et al. · Journal of Molecular Structure · 15
Works count: 57
Citation count: 1,047
H-index: 20
I10-index: 31
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