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Asmita Mondal

Observed name: Mondal, Asmita
ORCID: 0009-0000-2161-2143
Observed ORCID: 0009-0000-2161-2143
OpenAlex ID: A5033470221
Sumanene as a delivery carrier for methimazole drug: DFT, AIM, SERS and solvent effects
2022 · Jamelah S. Al-Otaibi, Y. Sheena Mary, et al. · Computational and Theoretical Chemistry · 34
Investigation of the adsorption of a DNA based purine derivative on N/B-doped coronene and coronene by means of DFT and NCI interaction analysis
2022 · Jamelah S.Al-Otaibi, Y.Sheena Mary, et al. · Journal of Molecular Liquids · 28
Investigation of the interaction of thymine drugs with Be12O12 and Ca12O12 nanocages: A quantum chemical study
2023 · Jamelah S. Al-Otaibi, Y. Sheena Mary, et al. · Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy · 18
Unveiling substituent effects in [3+2] cycloaddition reactions of benzonitrile N-oxide and benzylideneanilines from the molecular electron density theory perspective
2023 · Asmita Mondal, Haydar A. Mohammad-Salim, et al. · Scientiae Radices · 17
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Unveiling the intramolecular [3 + 2] cycloaddition reactions of C , N -disubstituted nitrones from the molecular electron density theory perspective
2022 · Nivedita Acharjee, Asmita Mondal, et al. · New Journal of Chemistry · 16
Insights on adsorption properties of a DNA base, guanine on nano metal cages (Ag24/Au24/Cu24): DFT, SERS, NCI and solvent effects
2023 · Jamelah S. Al-Otaibi, Y. Sheena Mary, et al. · Journal of Molecular Structure · 12
Unveiling the exclusive stereo and site selectivity in [3+2] cycloaddition reactions of a tricyclic strained alkene with nitrile oxides from the molecular electron density theory perspective
2023 · Asmita Mondal, Nivedita Acharjee · Chemistry of Heterocyclic Compounds · 11
Computational Insight into the Non‐Covalent Binding of Amiloride with Sumanene: A DFT and QTAIM Perspective
2025 · Jamelah S. Al‐Otaibi, Y. Sheena Mary, et al. · ChemistrySelect · 10
Revealing the influence of tether length on the intramolecular [3 + 2] cycloaddition reactions of nitrones from the molecular electron density theory perspective
2023 · Asmita Mondal, Luis R. Domingo, et al. · Journal of Physical Organic Chemistry · 10
Adsorption and electronic interactions of glycine on Al12N12 & B12N12 nanocages: A DFT study
2026 · Jamelah S. Al-Otaibi, Fowzia S. Alamro, et al. · Journal of Molecular Liquids · 9
DFT analysis on the adsorption of melamine in Ga12-N12/P12nanocages: solvent effects, SERS analysis, reactivity properties
2022 · Jamelah S. Al-Otaibi, Y. Sheena Mary, et al. · Journal of Biomolecular Structure and Dynamics · 9
Understanding [3+2] cycloaddition reactions of difluoroallene to nitrone and diazoalkanes from the molecular electron density theory perspective
2025 · Barsali Banerjee, Luis R. Domingo, et al. · New Journal of Chemistry · 7
Adsorption of toremifene on carboxylic acid functionalized N/B-doped coronene: DFT, AIM, solvation, docking and MD analyses
2024 · Jamelah S. Al-Otaibi, Y. Sheena Mary, et al. · Journal of Molecular Liquids · 7
A molecular electron density theory study to understand intramolecular [3 + 2] cycloaddition reactions of azides and diazoalkanes
2024 · Asmita Mondal, Nivedita Acharjee, et al. · Structural Chemistry · 5
Computational and Experimental Studies on Mixed‐Phase Copper Species Deposited on Nitrogen‐Doped Carbon Nanofibers for Electrochemical Sensing of Norfloxacin
2025 · Sahil, Asmita Mondal, et al. · Electroanalysis · 4
A Molecular Electron Density Theory Study for the Synthesis of Spirocyclic and Tricyclic Isoxazolines and Their Molecular Docking Evaluation for Antituberculosis Activity
2025 · Asmita Mondal, Luis R. Domingo, et al. · Journal of Physical Organic Chemistry · 3
Unveiling [3 + 2] cycloaddition reactions of pyridinium bis(methoxycarbonyl)methylides and pyridinium dicyanomethylides with cyclooctyne for indolizine synthesis from the molecular electron density theory perspective
2023 · Asmita Mondal, Nivedita Acharjee, et al. · Structural Chemistry · 3
Understanding Trimipraminium Maleate (TPM) through Spectroscopic, Hirshfeld surface and reactivity analysis: Experimental, DFT and MD studies in different solvents at different temperatures
2024 · Jamelah S. Al-Otaibi, Y. Sheena Mary, et al. · Journal of the Indian Chemical Society · 2
Diastereoselective green synthesis of pyrrolo[1,2-a]quinolines via [3+2] cycloaddition reaction: insights from molecular electron density theory
2023 · Haydar Mohammad-Salim, Asmita Mondal, et al. · Theoretical Chemistry Accounts · 1
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Binding of citromycetin with bivalent metals in solvents: DFT, reactivity analysis, solvent effects, docking and md investigations
2026 · Jamelah S. Al-Otaibi, Y. Sheena Mary, et al. · Bulletin of the Chemical Society of Ethiopia
The Silent Epidemic: A Multi-Database Analysis of Chronic Arsenic Exposure, Carcinogenesis, and Sustainable Mitigation in the Gangetic Delta
2026 · Keya De Mukhopadhyay, Sinjayee Das, et al. · Springer Link (Chiba Institute of Technology)
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The Silent Epidemic: A Multi-Database Analysis of Chronic Arsenic Exposure, Carcinogenesis, and Sustainable Mitigation in the Gangetic Delta
2026 · Keya De Mukhopadhyay, Sinjayee Das, et al. · BIO Web of Conferences
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A DFT study on Farnesol, Viridiflorol and Vomifoliol and their Molecular Docking analysis with M3 Muscarinic Acetylcholine Receptor
2026 · Suherita Shyam, Asmita Mondal, et al. · SSRN Electronic Journal
Understanding [3 + 2] cycloaddition reactions from the molecular electron density perspective : A new theoretical outlook on organic reactions
2022 · Asmita Mondal, Banerji, Avijit, et al. · Zenodo (CERN European Organization for Nuclear Research)
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An investigation on the fluorescence quenching mechanisms of 2-(8-chloro-12-oxo-12H-indolo[2,1-b]quinazolin-6-ylidene)-malononitrile by amines in acetonitrile-1,4-dioxane solvent mixtures and an evaluation of its antibacterial property
2022 · Ani Deepthi, Arsha Rajan, et al. · SSRN Electronic Journal
Works count: 26
Citation count: 206
H-index: 9
I10-index: 9
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