- h-index
- 27
- Citations
- 1,928
- Publications
- 163
via OpenAlex
via OpenAlex
About
Tanmoy Chakraborty is a researcher affiliated with the Narsee Monjee Institute of Management Studies. With a publishing span spanning over five decades, from 1970 to 2024, he has authored 73 research papers that focus on applying density functional theory and quantum mechanical reactivity descriptors to understand chemical reactivity and predict properties in various fields, including QSAR, drug design, and materials science.
Research areas
- Chemistry
- Computer science
- Physics
- Computational chemistry
- Organic chemistry
Publications (163)
Sorted by most cited.
- 76 cites
- 72 cites
Molecular Physics1970journal article
View DOI - 65 cites
Gordy's electrostatic scale of electronegativity revisited
Journal of Molecular Structure: THEOCHEM1970journal article
View DOI - 60 cites
- 59 cites
- 46 cites
- 46 cites
Materials Chemistry and Physics1970journal article
View DOI - 42 cites
- 41 cites
- 40 cites
The wave mechanical evaluation of the absolute radii of atoms
Journal of Molecular Structure: THEOCHEM1970journal article
View DOI - 35 cites
Thin Solid Films1970journal article
View DOI - 34 cites
Study of Tl-based perovskite materials TlZX3 (Z = Ge, Sn, Be, Sr; X = Cl, Br, I) for application in scintillators: DFT and TD-DFT approach
2023
View DOI - 34 cites
Coronavirus (COVID-19): ARIMA-based Time-series Analysis to Forecast near Future and the Effect of School Reopening in India
2022
View DOI - 34 cites
- 34 cites
Molecular Electrophilicity Index - A Promising Descriptor for Predicting Toxicological Property
2017
View DOI - 34 cites
Physical Review B1970journal article
View DOI - 32 cites
- 29 cites
A new scale of atomic static dipole polarizability invoking other periodic descriptors
Journal of Mathematical Chemistry1970journal article
View DOI - 28 cites
A fundamental approach to compute atomic electrophilicity index
Journal of Mathematical Chemistry2020journal article
View DOI - 28 cites
A scale of atomic electronegativity in terms of atomic nucleophilicity index
Foundations of Chemistry1970journal article
View DOI - 27 cites
Molecular Physics2024journal article
View DOI - 27 cites
Journal of Nanoparticle Research2020journal article
View DOI - 27 cites
- 27 cites
Materials Science- Poland1970journal article
View DOI - 26 cites
- 26 cites
A computational study of chalcopyrite-type nanomaterials for solar cell applications
Materials Science in Semiconductor Processing1970journal article
View DOI - 25 cites
Divagations about the periodic table: Boolean hypercube and quantum similarity connections
Journal of Computational Chemistry1970journal article
View DOI - 24 cites
Journal of Physical Organic Chemistry2023journal article
View DOI - 24 cites
The electronegativity scale of Allred and Rochow: Revisited
Theoretical Chemistry Accounts1970journal article
View DOI - 21 cites
Nonlinear optical and quantum chemical studies of Palladium benzimidazole Schiff base complex
2022
View DOI - 21 cites
- 20 cites
Zinc-curcumin complexes: Design, synthesis, geometry optimization, and optical nonlinearity applications
2023
View DOI - 20 cites
Journal of Molecular Modeling1970journal article
View DOI - 20 cites
Materials Today Communications1970journal article
View DOI - 19 cites
DFT and TD-DFT studies of perovskite materials LiAX3 (A=Ge, Sn; X= F, Cl, Br, I) in reference to their solar cell applications
2024
View DOI - 19 cites
Journal of Nanoparticle Research2020journal article
View DOI - 19 cites
- 19 cites
Density functional approach: To study copper sulfide nanoalloy clusters
Acta Chimica Slovenica1970journal article
View DOI - 19 cites
Journal of Physics Condensed Matter1970journal article
View DOI - 18 cites
Physica B: Condensed Matter1970journal article
View DOI - 17 cites
- 17 cites
Pure and Applied Chemistry1970journal article
View DOI - 16 cites
A Scale of Atomic Electronegativity Based on Floating Spherical Gaussian Orbital Approach
ChemistrySelect2021journal article
View DOI - 16 cites
- 15 cites
Theoretical analysis: Electronic and optical properties of gold-silicon nanoalloy clusters
Materials Today: Proceedings1970conference paper
View DOI - 14 cites
A new approach to compute atomic electrophilicity index in terms of Gordy’s electronegativity
Journal of Chemical Research2021journal article
View DOI - 14 cites
Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index
2020
View DOI - 14 cites
- 13 cites
Molecular Diversity2023journal article
View DOI - 13 cites
Atomic electronegativity based on hardness and floating spherical gaussian orbital approach
Journal of Mathematical Chemistry2022journal article
View DOI - 11 cites
Computational Investigation of Cationic, Anionic and Neutral Ag2AuN (N = 1–7) Nanoalloy Clusters
2017
View DOI - 11 cites
Chemistry of Materials1970journal article
View DOI - 11 cites
Journal of Mathematical Chemistry1970journal article
View DOI - 10 cites
- 10 cites
Journal of Physics D: Applied Physics1970journal article
View DOI - 9 cites
Journal of Physical Organic Chemistry2023journal article
View DOI - 9 cites
An alternative approach to compute atomic hardness
Theoretical Chemistry Accounts2021journal article
View DOI - 9 cites
Theoretical Chemistry Accounts2021journal article
View DOI - 9 cites
- 9 cites
- 9 cites
Computational study of AuSi<inf>n</inf> (n=1-9) nanoalloy clusters invoking DFT based descriptors
AIP Conference Proceedings1970conference paper
View DOI - 8 cites
Journal of Molecular Graphics and Modelling2023journal article
View DOI - 8 cites
- 8 cites
- 8 cites
- 8 cites
Journal of Molecular Structure: THEOCHEM1970journal article
View DOI - 7 cites
A density-functional-theory-based study of the lead-free perovskite materials CsGeX<sub>3</sub> and CsGeX<sub>2</sub>X′ (X, X′ = Cl, Br, I) for photovoltaic applications
2024
View DOI - 7 cites
Computational study of Cu n AgAu (n = 1–4) clusters invoking DFT based descriptors
Physical Sciences Reviews2023journal article
View DOI - 7 cites
- 7 cites
Journal of Physics: Conference Series1970conference paper
View DOI - 7 cites
European Physical Journal D1970journal article
View DOI - 6 cites
A scale of absolute radii derived from electrophilicity index
Molecular Physics1970journal article
View DOI - 6 cites
Materials Science-Poland1970journal article
View DOI - 6 cites
Shape Memory and Superelasticity1970journal article
View DOI - 6 cites
Computational Investigation of Ge Doped Au Nanoalloy Clusters: A DFT Study
IOP Conference Series: Materials Science and Engineering1970conference paper
View DOI - 5 cites
Density functional theory for exploration of chemical reactivity: Successes and limitations
Journal of Physical Organic Chemistry2023journal article
View DOI - 5 cites
An FSGO based Electronegativity Scale invoking the Electrophilicity Index
ChemistrySelect2022journal article
View DOI - 5 cites
Journal of Mathematical Chemistry2022journal article
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- 5 cites
- 5 cites
- 5 cites
Computational Study of Au Doped Cu Nano Alloy Clusters
Nano Hybrids and Composites1970journal article
View DOI - 4 cites
- 4 cites
A computational study of ZnFeX2 (X = S, Se, Te) Nano-clusters having photovoltaic applications
2023
View DOI - 4 cites
- 4 cites
- 4 cites
THEORETICAL ANALYSIS: ELECTRONIC AND OPTICAL PROPERTIES OF SMALL CU-AG NANO ALLOY CLUSTERS
Computational Chemistry Methodology in Structural Biology and Materials Sciences1970journal article
View DOI - 3 cites
- 3 cites
A relationship between magnetizability and chemical potential
Chemical Papers2021journal article
View DOI - 3 cites
A new scale of the electrophilicity index invoking the force concept and its application in computing the internuclear bond distance
2019
View DOI - 3 cites
Erratum: Unraveling the composition dependence of the martensitic transformation temperature: A first-principles study of Ti-Ta alloys [Phys. Rev. B <b>94</b>, 224104 (2016)]
2017
View DOI - 3 cites
- 3 cites
A scale of absolute hardness based on the conjoint action of other properties
Molecular Physics1970journal article
View DOI - 2 cites
A theoretical approach to study oxide-based perovskite materials XTiO<sub>3</sub> (X = Be, Mg, Ca, Sr and Ba) for photovoltaic applications
2024
View DOI - 2 cites
A systematic DFT study of arsenic doped iron cluster AsFe n (n = 1–4)
Physical Sciences Reviews2024journal article
View DOI - 2 cites
Theoretical investigation of some transition metal sulfides nanomaterials: CDFT approach
2023
View DOI - 2 cites
Structural Chemistry2022preprint
View DOI - 2 cites
- 2 cites
- 2 cites
Multi-scale assessment of drought-induced forest dieback
2020
- 2 cites
A Theoretical Analysis of Bimetallic Ag–Aun (N = 1–7) Nanoalloy Clusters Invoking DFT-Based Descriptors
2017
View DOI - 2 cites
A Theoretical Analysis of Bimetallic Ag–Aun (N = 1–7) Nanoalloy Clusters Invoking DFT-Based Descriptors
2016
View DOI - 2 cites
Analysis and Modeling of Lowest Unique Bid Auctions
2014
- 2 cites
Mechanism Design with Risk Aversion
2011
- 2 cites
Correlation of the Drug Activities of Some Anti-Tubercular Chalcone Derivatives in Terms of the Quantum Mechanical Reactivity Descriptors
2011
View DOI - 2 cites
Fabrication of narrow bandpass filters for wavelength division multiplexing applications – A feasibility study
2007
- 2 cites
Journal of Mathematical Chemistry1970journal article
View DOI - 2 cites
Methodologies and Applications for Chemoinformatics and Chemical Engineering1970book chapter
View DOI - 1 cites
Theoretical analysis of the Lewis acidity of transition metal-based complexes: [Cu(OTeF <sub>5</sub> ) <sub>3</sub> ], [Ag(OTeF <sub>5</sub> ) <sub>3</sub> ] and [Au(OTeF <sub>5</sub> ) <sub>3</sub> ]
2025
View DOI - 1 cites
Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor
2023
View DOI - 1 cites
- 1 cites
- 1 cites
Quantum similarity description of a unique classical and quantum QSPR algorithm in molecular spaces: the connection with Boolean hypercubes, algorithmic intelligence, and Gödel's incompleteness theorems
2023
View DOI - 1 cites
A study of 5-lipoxygenase inhibitors invoking DFT-based descriptor nucleophilicity index
Monatshefte für Chemie - Chemical Monthly2022journal article
View DOI - 1 cites
- 1 cites
- 1 cites
A quest for effective polarizability as a function of the radii
Journal of the Korean Physical Society2021journal article
View DOI - 1 cites
Journal of Mathematical Chemistry2021journal article
View DOI - 1 cites
- 1 cites
Theoretical Analysis of CuTiS2 and CuTiSe2 Invoking Density Functional Theory-Based Descriptors
2020
View DOI - 1 cites
- 1 cites
- 1 cites
Bargaining and pricing in networked economic systems
2011
- 0 cites
Understanding the Physics of Key-Value Cache Compression for LLMs through Attention Dynamics
2026
- 0 cites
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On the Nature of Chemical Bond: Space Enfoldings, Density Bond Matrices, Quantum Molecular Polyhedra, and a Collective Bond Description Proposal
2025
View DOI - 0 cites
Computer Vision-Based Automatic Sorting of Non-Biodegradable Waste: A VGG16 Approach for Plastics and Polythene
2025
View DOI - 0 cites
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Conceptual Density Functional Theory‐Based Study of Pure and<scp>TM</scp>s‐Doped<scp>CdX</scp>(<scp>X</scp> = <scp>S</scp>,<scp>Se</scp>,<scp>Te</scp>;<scp>TMs</scp> = <scp>Cu</scp>,<scp>Ag</scp>, and<scp>Au</scp>) Nano Cluster for Water Splitting and Spintronic Applications
2024
View DOI - 0 cites
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Study of Oxide-based Nano Cluster X3O4 (X = Ti, Fe and Zn) for Biomedical Applications: A CDFT Approach
2023
View DOI - 0 cites
- 0 cites
Synthesis and In-Silico Structural Analysis of Phenoxo-Bridged Zn(II) Complexes Targeting Spike Protein of SARS-CoV-2
2023
View DOI - 0 cites
Novel Zinc-Curcumin Complexes: Design, Synthesis, Geometry Optimization, and Optical Nonlinearity Applications
2022
View DOI - 0 cites
arXiv : Spectrally Multiplexed Hong-Ou-Mandel Interference
2021
- 0 cites
Indicators identification and indexing of the Indian costal States/UTs towards Blue Economy
2021
View DOI - 0 cites
- 0 cites
- 0 cites
- 0 cites
A Theoretical Study of Copper Sulfide Nanoalloy Clusters: Density Functional Approach
2017
- 0 cites
Density functional theory investigation of elastic properties and martensitic transformation of Ti-Ta alloys
2016
- 0 cites
QSAR study of benzimidazole type of fluconazole analogues invoking quantum mechanical density functional based descriptors
2015
- 0 cites
First principles study of competing phases in binary Ti-Ta alloys
2015
- 0 cites
Quantum Mechanical Study of Some Atomic Properties
2013
- 0 cites
- 0 cites
Mechanism Design for Risk Averse Sellers
2011
- 0 cites
Computation of the dipole moment of some heteronuclear diatomic molecules in terms of the revised electronegativity scale of Allred and Rochow
2010
View DOI - 0 cites
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A computational and theoretical study of some heavy metal heteronuclear dimers
Journal of the Indian Chemical Society1970journal article
View DOI - 0 cites
Theoretical analysis: Electronic and optical properties of smal cu-ag na no alloy clusters
Computational Chemistry Methodology in Structural Biology and Materials Sciences1970book chapter
View DOI - 0 cites
Calculation of diffusion coefficient of long chain molecules using molecular dynamics
Physica E: Low-Dimensional Systems and Nanostructures1970journal article
View DOI - 0 cites
Molecular Physics1970journal article
View DOI - 0 cites
Computational and experimental chemistry: Developments and applications
Computational and Experimental Chemistry: Developments and Applications1970book
- 0 cites
Computational and Experimental Chemistry: Developments and Applications1970book chapter
- 0 cites
Computational and Experimental Chemistry: Developments and Applications1970book