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Chemistry
India
2025

D-Index & Metrics

Chemistry

D-Index
78
Citations
27431
World Ranking
3740
National Ranking
31

Research.com Recognitions

  • 2025 - Research.com Chemistry in India Leader Award
  • 2022 - Research.com Chemistry in India Leader Award
  • 2013 - Fellow, The World Academy of Sciences

Overview

Pratim K. Chattaraj is affiliated with the Birla Institute of Technology, Mesra in India. Their research primarily focuses on the fields of Chemistry and Materials Science, with a considerable number of publications in related subfields including Organic Chemistry, Materials Chemistry, Atomic and Molecular Physics and Optics, Inorganic Chemistry, and Physical and Theoretical Chemistry.

Their work addresses a broad range of topics within chemical sciences, particularly:

  • Advanced Chemical Physics Studies
  • Boron and Carbon Nanomaterials Research
  • Crystallography and molecular interactions
  • Synthesis and characterization of novel inorganic/organometallic compounds
  • Fullerene Chemistry and Applications
  • Inorganic Fluorides and Related Compounds
  • Organoboron and organosilicon chemistry

Chattaraj has contributed several papers to high-impact journals over recent years. Notable publications include:

  • "Conceptual density functional theory: status, prospects, issues" (2020) published in Theoretical Chemistry Accounts
  • "DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science" (2022) published in Physical Chemistry Chemical Physics
  • "Conceptual density functional theory based electronic structure principles" (2021) published in Chemical Science
  • "Electrophilicity index revisited" (2022) published in Journal of Computational Chemistry
  • "Chemical reactivity from a conceptual density functional theory perspective" (2021) published in Journal of the Indian Chemical Society

The frequent publication venues for their research include:

  • The Journal of Physical Chemistry A
  • Physical Chemistry Chemical Physics
  • Journal of Computational Chemistry
  • Theoretical Chemistry Accounts
  • Frontiers in Chemistry

Collaborations have played a significant role in their research output. Leading frequent coauthors are:

  • Ranita Pal
  • Prasenjit Das
  • Gourhari Jana
  • Shanti G. Patra
  • Ranajit Saha

Chattaraj was recognized as a Fellow of The World Academy of Sciences in 2013, affirming their standing within the global scientific community.

Best Publications

  • Principle of maximum hardness

    Robert G. Parr;Pratim K. Chattaraj

  • Electrophilicity Index

    Unknown

  • Update 2 of: Electrophilicity Index

    Pratim Kumar Chattaraj;Santanab Giri;Soma Duley

  • Philicity: A Unified Treatment of Chemical Reactivity and Selectivity

    Pratim Kumar Chattaraj;Buddhadev Maiti;Utpal Sarkar

  • Update 1 of: Electrophilicity Index

    Pratim Kumar Chattaraj;Debesh Ranjan Roy

  • Electrophilicity-based charge transfer descriptor.

    J. Padmanabhan;R. Parthasarathi;V. Subramanian;P. K. Chattaraj

  • Electrophilicity index as a possible descriptor of biological activity.

    R Parthasarathi;V Subramanian;D R Roy;P K Chattaraj

  • Chemical Reactivity Theory : A Density Functional View

    Pratim Kumar Chattaraj

  • Popular Electronic Structure Principles in a Dynamical Context

    P. K. Chattaraj;S. Sengupta

  • Conceptual density functional theory: status, prospects, issues

    Paul Geerlings;Eduardo Chamorro;Pratim Kumar Chattaraj;Frank De Proft

  • Variation of the Electrophilicity Index along the Reaction Path.

    Eduardo Chamorro;Pratim K. Chattaraj;Patricio Fuentealba

  • Intermolecular reactivity through the generalized philicity concept

    R. Parthasarathi;J. Padmanabhan;M. Elango;V. Subramanian

  • Stability, reactivity, and aromaticity of compounds of a multivalent superatom.

    Pratim Kumar Chattaraj;Santanab Giri

  • Chemical Reactivity and Selectivity: Local HSAB Principle versus Frontier Orbital Theory

    P. K. Chattaraj

  • Comparison of Global Reactivity Descriptors Calculated Using Various Density Functionals: A QSAR Perspective

    R. Vijayaraj;V. Subramanian;P. K. Chattaraj

  • Electrophilicity index within a conceptual DFT framework

    Pratim Kumar Chattaraj;Santanab Giri

  • Electrophilicity as a possible descriptor for toxicity prediction.

    D.R. Roy;R. Parthasarathi;B. Maiti;V. Subramanian

  • A comparative study to predict regioselectivity, electrophilicity and nucleophilicity with Fukui function and Hirshfeld charge

    Bin Wang;Chunying Rong;Pratim K. Chattaraj;Shubin Liu

  • HSAB principle applied to the time evolution of chemical reactions.

    Pratim Kumar Chattaraj;Buddhadev Maiti

  • The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions

    Pratim K. Chattaraj;Guang H. Liu;Robert G. Parr

  • Toxicity analysis of benzidine through chemical reactivity and selectivity profiles: a DFT approach

    BioChem Press;Ramakrishnan Parthasarathi;Jaganathan Padmanabhan;Utpal Sarkar

  • NEVAE: A Deep Generative Model for Molecular Graphs

    Bidisha Samanta;Abir De;Gourhari Jana;Vicenç Gómez

Frequent Co-Authors

Gabriel Merino
Gabriel Merino Instituto Politécnico Nacional
Ramakrishnan Parthasarathi
Ramakrishnan Parthasarathi Academy of Scientific and Innovative Research
Venkatesan Subramanian
Venkatesan Subramanian Central Leather Research Institute
Shubin Liu
Shubin Liu University of North Carolina at Chapel Hill
Patrick Bultinck
Patrick Bultinck Ghent University
Robert G. Parr
Robert G. Parr University of North Carolina at Chapel Hill
Alejandro Toro-Labbé
Alejandro Toro-Labbé Pontificia Universidad Católica de Chile
Paul W. Ayers
Paul W. Ayers McMaster University
Shamik Sural
Shamik Sural Indian Institute of Technology Kharagpur
Thomas Heine
Thomas Heine TU Dresden

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