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Tanmoy Chakraborty

Narsee Monjee Institute of Management StudiesIN
ORCID0000-0002-3374-8125
h-index
27

via OpenAlex

Citations
1,928

via OpenAlex

Publications
163

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.

  1. Coronavirus (COVID-19): ARIMA based time-series analysis to forecast near future

    2020

    View DOI
    76 cites
  2. Gordy's electrostatic scale of electronegativity revisited

    Journal of Molecular Structure: THEOCHEM1970journal article

    View DOI
    65 cites
  3. Network design for vertex connectivity

    2008

    View DOI
    60 cites
  4. Market making and mean reversion

    2011

    View DOI
    59 cites
  5. Polarizability: a promising descriptor to study chemical–biological interactions

    2020

    View DOI
    46 cites
  6. Approximating pure nash equilibrium in cut, party affiliation, and satisfiability games

    2010

    View DOI
    42 cites
  7. Planar and Grid Graph Reachability Problems

    2009

    View DOI
    41 cites
  8. The wave mechanical evaluation of the absolute radii of atoms

    Journal of Molecular Structure: THEOCHEM1970journal article

    View DOI
    40 cites
  9. 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
  10. 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
  11. A Concise Review on the Significance of QSAR in Drug Design

    2019

    View DOI
    34 cites
  12. Molecular Electrophilicity Index - A Promising Descriptor for Predicting Toxicological Property

    2017

    View DOI
    34 cites
  13. A behavioral study of bargaining in social networks

    2010

    View DOI
    32 cites
  14. 29 cites
  15. A fundamental approach to compute atomic electrophilicity index

    Journal of Mathematical Chemistry2020journal article

    View DOI
    28 cites
  16. 28 cites
  17. Network bargaining

    2009

    View DOI
    27 cites
  18. Nickel curcumin complexes: Physico chemical studies and nonlinear optical activity

    2023

    View DOI
    26 cites
  19. A computational study of chalcopyrite-type nanomaterials for solar cell applications

    Materials Science in Semiconductor Processing1970journal article

    View DOI
    26 cites
  20. 25 cites
  21. The electronegativity scale of Allred and Rochow: Revisited

    Theoretical Chemistry Accounts1970journal article

    View DOI
    24 cites
  22. Nonlinear optical and quantum chemical studies of Palladium benzimidazole Schiff base complex

    2022

    View DOI
    21 cites
  23. Atomic polarizability: A periodic descriptor

    Journal of Chemical Research2020journal article

    View DOI
    21 cites
  24. Zinc-curcumin complexes: Design, synthesis, geometry optimization, and optical nonlinearity applications

    2023

    View DOI
    20 cites
  25. 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
  26. Mechanism Design for a Risk Averse Seller

    2012

    View DOI
    19 cites
  27. 19 cites
  28. Bargaining Solutions in a Social Network

    2008

    View DOI
    17 cites
  29. Dynamic and Nonuniform Pricing Strategies for Revenue Maximization

    2013

    View DOI
    16 cites
  30. Computation of absolute radii of 103 elements of the periodic table in terms of nucleophilicity index

    2020

    View DOI
    14 cites
  31. A New Model of Atomic Nucleophilicity Index and Its Application in the Field of QSAR

    2019

    View DOI
    14 cites
  32. 13 cites
  33. Computational Investigation of Cationic, Anionic and Neutral Ag2AuN (N = 1–7) Nanoalloy Clusters

    2017

    View DOI
    11 cites
  34. Extended Minkowski spaces, zero norms, and Minkowski hypersurfaces

    2021

    View DOI
    10 cites
  35. An alternative approach to compute atomic hardness

    Theoretical Chemistry Accounts2021journal article

    View DOI
    9 cites
  36. Nash Dynamics in Congestion Games with Similar Resources

    2009

    View DOI
    9 cites
  37. Grid Graph Reachability Problems

    2006

    View DOI
    9 cites
  38. A quest for the universal atomic radii

    Structural Chemistry2022journal article

    View DOI
    8 cites
  39. n the Validity of Minimum Magnetizability Principle in Chemical Reactions

    2021

    View DOI
    8 cites
  40. A DFT study of vanadium doped gold nanoalloy clusters

    Key Engineering Materials1970book

    View DOI
    8 cites
  41. 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
  42. Selective Call Out and Real Time Bidding

    2010

    View DOI
    7 cites
  43. 6 cites
  44. Computational Investigation of Ge Doped Au Nanoalloy Clusters: A DFT Study

    IOP Conference Series: Materials Science and Engineering1970conference paper

    View DOI
    6 cites
  45. 5 cites
  46. Can chemical reactivity descriptors explain catalytic reactivity?

    2021

    View DOI
    5 cites
  47. Approximation Schemes for Sequential Posted Pricing in Multi-Unit Auctions

    2010

    View DOI
    5 cites
  48. Nash Dynamics in Constant Player and Bounded Jump Congestion Games

    2009

    View DOI
    5 cites
  49. Computational Study of Au Doped Cu Nano Alloy Clusters

    Nano Hybrids and Composites1970journal article

    View DOI
    5 cites
  50. Computational insight of repurpose drug for treatment of COVID-19: a CDFT approach

    2023

    View DOI
    4 cites
  51. A computational study of ZnFeX2 (X = S, Se, Te) Nano-clusters having photovoltaic applications

    2023

    View DOI
    4 cites
  52. Computational study of some potential inhibitors of COVID‐19: A DFT analysis

    2022

    View DOI
    4 cites
  53. A scale of atomic magnetizability

    Theoretical Chemistry Accounts2021journal article

    View DOI
    4 cites
  54. 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
    4 cites
  55. Theoretical analysis of AgFen (n = 1–5) clusters: A DFT study

    2021

    View DOI
    3 cites
  56. 3 cites
  57. 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
  58. 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
  59. Dynamic and non-uniform pricing strategies for revenue maximization

    2010

    View DOI
    3 cites
  60. 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
  61. 2 cites
  62. Theoretical investigation of some transition metal sulfides nanomaterials: CDFT approach

    2023

    View DOI
    2 cites
  63. Theoretical Analysis of Au-V Nanoalloy Clusters: A Density Functional Approach

    2020

    View DOI
    2 cites
  64. Theoretical Analysis of Au-Pd Nanoalloy Clusters: A DFT Study

    2020

    View DOI
    2 cites
  65. Multi-scale assessment of drought-induced forest dieback

    2020

    2 cites
  66. A Theoretical Analysis of Bimetallic Ag–Aun (N = 1–7) Nanoalloy Clusters Invoking DFT-Based Descriptors

    2017

    View DOI
    2 cites
  67. A Theoretical Analysis of Bimetallic Ag–Aun (N = 1–7) Nanoalloy Clusters Invoking DFT-Based Descriptors

    2016

    View DOI
    2 cites
  68. Analysis and Modeling of Lowest Unique Bid Auctions

    2014

    2 cites
  69. Mechanism Design with Risk Aversion

    2011

    2 cites
  70. Correlation of the Drug Activities of Some Anti-Tubercular Chalcone Derivatives in Terms of the Quantum Mechanical Reactivity Descriptors

    2011

    View DOI
    2 cites
  71. Fabrication of narrow bandpass filters for wavelength division multiplexing applications – A feasibility study

    2007

    2 cites
  72. Correlation of the drug activities of some anti-tubercular chalcone derivatives in terms of the quantum mechanical reactivity descriptors

    Methodologies and Applications for Chemoinformatics and Chemical Engineering1970book chapter

    View DOI
    2 cites
  73. 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
  74. Application of floating spherical Gaussian orbital approach in redefining the atomic periodic descriptor

    2023

    View DOI
    1 cites
  75. Variation of Atomic Radii as a Function of Pressure: A Theoretical Study

    2023

    View DOI
    1 cites
  76. Theoretical analysis of AgInX2 (X = S, Se, Te) nanomaterials: A DFT study

    2023

    View DOI
    1 cites
  77. 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
  78. A study of 5-lipoxygenase inhibitors invoking DFT-based descriptor nucleophilicity index

    Monatshefte für Chemie - Chemical Monthly2022journal article

    View DOI
    1 cites
  79. Spectrally Multiplexed Hong-Ou-Mandel Interference

    2021

    View DOI
    1 cites
  80. Emerging Trends of Research in Chemical Sciences

    2021

    View DOI
    1 cites
  81. A quest for effective polarizability as a function of the radii

    Journal of the Korean Physical Society2021journal article

    View DOI
    1 cites
  82. Computational analysis of [AunSi]+ (n = 1–5) nanoalloy clusters

    2021

    View DOI
    1 cites
  83. Theoretical Analysis of CuTiS2 and CuTiSe2 Invoking Density Functional Theory-Based Descriptors

    2020

    View DOI
    1 cites
  84. Theoretical Computation of Periodic Descriptors Invoking Periodic Properties

    2019

    View DOI
    1 cites
  85. Theoretical Study of Lamivudine Derivatives Invoking DFT based Descriptors

    2015

    View DOI
    1 cites
  86. Bargaining and pricing in networked economic systems

    2011

    1 cites
  87. Understanding the Physics of Key-Value Cache Compression for LLMs through Attention Dynamics

    2026

    0 cites
  88. Value-Guided KV Compression for LLMs via Approximated CUR Decomposition

    2025

    View DOI
    0 cites
  89. Floating spherical Gaussian orbital model: a brief overview

    2025

    View DOI
    0 cites
  90. 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
  91. Computer Vision-Based Automatic Sorting of Non-Biodegradable Waste: A VGG16 Approach for Plastics and Polythene

    2025

    View DOI
    0 cites
  92. Compression Laws for Large Language Models

    2025

    View DOI
    0 cites
  93. You Only Prune Once: Designing Calibration-Free Model Compression With Policy Learning

    2025

    View DOI
    0 cites
  94. Revealing the effects of pressure on periodic descriptors

    2024

    View DOI
    0 cites
  95. 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
  96. Particle Creation in a Linear Gravitational Wave Background

    2024

    View DOI
    0 cites
  97. Maximum nucleophilicity principle

    Chemical Papers2024journal article

    View DOI
    0 cites
  98. Solid Materials for Applications in Life Sciences: An Introduction

    2023

    View DOI
    0 cites
  99. 16 A systematic DFT study of arsenic doped iron cluster AsFen (n = 1–4)

    2023

    View DOI
    0 cites
  100. Study of Oxide-based Nano Cluster X3O4 (X = Ti, Fe and Zn) for Biomedical Applications: A CDFT Approach

    2023

    View DOI
    0 cites
  101. Contributors

    2023

    View DOI
    0 cites
  102. Synthesis and In-Silico Structural Analysis of Phenoxo-Bridged Zn(II) Complexes Targeting Spike Protein of SARS-CoV-2

    2023

    View DOI
    0 cites
  103. Novel Zinc-Curcumin Complexes: Design, Synthesis, Geometry Optimization, and Optical Nonlinearity Applications

    2022

    View DOI
    0 cites
  104. arXiv : Spectrally Multiplexed Hong-Ou-Mandel Interference

    2021

    0 cites
  105. Indicators identification and indexing of the Indian costal States/UTs towards Blue Economy

    2021

    View DOI
    0 cites
  106. Conformational Analysis of Ag-Au Nanoalloy Clusters: A CDFT Approach

    2019

    View DOI
    0 cites
  107. Conformational Study of Bimetallic Trimers Cu-Ag Nanoalloy Clusters

    2019

    View DOI
    0 cites
  108. A Density-Functional Study of Ag-Doped Cu Nanoalloy Clusters

    2018

    View DOI
    0 cites
  109. A Theoretical Study of Copper Sulfide Nanoalloy Clusters: Density Functional Approach

    2017

    0 cites
  110. Density functional theory investigation of elastic properties and martensitic transformation of Ti-Ta alloys

    2016

    0 cites
  111. QSAR study of benzimidazole type of fluconazole analogues invoking quantum mechanical density functional based descriptors

    2015

    0 cites
  112. First principles study of competing phases in binary Ti-Ta alloys

    2015

    0 cites
  113. Quantum Mechanical Study of Some Atomic Properties

    2013

    0 cites
  114. Mechanism Design and Risk Aversion

    2011

    View DOI
    0 cites
  115. Mechanism Design for Risk Averse Sellers

    2011

    0 cites
  116. 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
  117. Dynamic and Non-Uniform Pricing Strategies for Revenue Maximization

    2009

    View DOI
    0 cites
  118. One-Input-Face MPCVP Is Hard for L, But in LogDCFL

    2006

    View DOI
    0 cites
  119. Process development for large-area terrestrial solar cells with-out optical confinement

    1996

    View DOI
    0 cites
  120. A computational and theoretical study of some heavy metal heteronuclear dimers

    Journal of the Indian Chemical Society1970journal article

    View DOI
    0 cites
  121. 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
  122. Calculation of diffusion coefficient of long chain molecules using molecular dynamics

    Physica E: Low-Dimensional Systems and Nanostructures1970journal article

    View DOI
    0 cites
  123. Computational and experimental chemistry: Developments and applications

    Computational and Experimental Chemistry: Developments and Applications1970book

    0 cites
  124. Preface

    Computational and Experimental Chemistry: Developments and Applications1970book

    0 cites