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Chemistry

D-Index
54
Citations
11971
World Ranking
12511
National Ranking
341

Overview

Paul G. Mezey is affiliated with Memorial University of Newfoundland in Canada. Their research spans multiple academic fields including Arts and Humanities, Chemistry, and Biochemistry, Genetics and Molecular Biology. The scientist's work integrates a diversity of subfields such as History and Philosophy of Science, Spectroscopy, Molecular Biology, Materials Chemistry, and Computational Theory and Mathematics.

They have published in various venues, contributing to both theoretical and applied scientific literature. Recent publication venues include:

  • Theoretical Chemistry Accounts
  • International Journal of Quantum Chemistry
  • Kyoto University Research Information Repository (Kyoto University)

Paul G. Mezey's recent papers illustrate their interdisciplinary approach and focus areas. Notable publications are:

  • From quantum similarity measures to quantum analogy functors: tools for QShAR, quantitative shape-activity relations (2021) published in Theoretical Chemistry Accounts
  • A wavefunction model to chemical bonding (2021) published in International Journal of Quantum Chemistry
  • The Literacy of Creativity -The Emergent Dynamics Beyond Expectations- (2020) published in Kyoto University Research Information Repository (Kyoto University)

The scientist frequently collaborates with co-authors including Masatoshi Murase and Gábor Náray-Szabó. These collaborations reflect shared research interests in their fields of study.

Paul G. Mezey's main topics of research cover a broad spectrum related to molecular and computational sciences. Areas of focus include:

  • Molecular spectroscopy and chirality
  • Philosophy and History of Science
  • Computational Drug Discovery Methods
  • Metabolomics and Mass Spectrometry Studies
  • Protein Structure and Dynamics
  • Enzyme Structure and Function
  • Machine Learning in Materials Science

This wide range of interests highlights the interdisciplinary nature of their scientific contributions, spanning from fundamental theoretical frameworks to applied methodologies in computational and molecular sciences.

Best Publications

  • A fast intrinsic localization procedure applicable for ab initio and semiempirical linear combination of atomic orbital wave functions

    János Pipek;Paul G. Mezey

  • Potential Energy Hypersurfaces

    Paul G. Mezey

  • Shape in Chemistry: An Introduction to Molecular Shape and Topology

    Paul G. Mezey

  • The holographic electron density theorem and quantum similarity measures

    Paul G. Mezey

  • Molecular electron density lego approach to molecule building

    P. Duane Walker;Paul G. Mezey

  • The shape of molecular charge distributions: Group theory without symmetry

    Paul G. Mezey

  • Ab Initio Quality Electron Densities for Proteins: A MEDLA Approach

    P. Duane Walker;Paul G. Mezey

  • Ab Initio-Quality Electrostatic Potentials for Proteins: An Application of the ADMA Approach

    Thomas E. Exner;Paul G. Mezey

  • Catchment region partitioning of energy hypersurfaces, I

    Paul G. Mezey

  • Ab initio quality properties for macromolecules using the ADMA approach.

    Thomas E. Exner;Paul G. Mezey;Paul G. Mezey

  • The Field-Adapted ADMA Approach: Introducing Point Charges

    Thomas E. Exner;Paul G. Mezey

  • Macromolecular density matrices and electron densities with adjustable nuclear geometries

    Paul G. Mezey

  • Linear-Scaling Techniques in Computational Chemistry and Physics

    Robert Zalesny;Manthos G. Papadopoulos;Paul G. Mezey;Jerzy Leszczynski

  • Advances in Molecular Similarity

    Ramón Carbó;Paul G. Mezey

  • Quantum similarity measures and Löwdin's transform for approximate density matrices and macromolecular forces

    Paul G. Mezey

  • Shape-similarity measures for molecular bodies: A 3D topological approach to quantitative shape-activity relations

    Paul G. Mezey

  • Heuristic molecular lipophilicity potential (HMLP): a 2D-QSAR study to LADH of molecular family pyrazole and derivatives.

    Qishi Du;Paul G. Mezey;Kuo-Chen Chou

  • Functional Groups in Quantum Chemistry

    Paul G. Mezey

  • Quantum chemistry of macromolecular shape

    Paul G. Mezey

  • Fundamentals of Molecular Similarity

    Ramon Carbó-Dorca;Xavier Gironés;Paul G. Mezey

Frequent Co-Authors

Imre G. Csizmadia
Imre G. Csizmadia University of Toronto
Otto P. Strausz
Otto P. Strausz University of Alberta
Frank Harary
Frank Harary New Mexico State University
Bruce M. Greenberg
Bruce M. Greenberg University of Waterloo
Fernando Bernardi
Fernando Bernardi University of Bologna
William F. Reynolds
William F. Reynolds University of Toronto
Marek Z. Zgierski
Marek Z. Zgierski National Research Council Canada
D. George Dixon
D. George Dixon University of Waterloo
Michael A. Robb
Michael A. Robb Imperial College London
Kenichi Fukui
Kenichi Fukui Osaka University

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