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Chemistry
Czechia
2026

D-Index & Metrics

Chemistry

D-Index
129
Citations
71662
World Ranking
343
National Ranking
2

Research.com Recognitions

  • 2026 - Research.com Chemistry in Czechia Leader Award
  • 2025 - Research.com Chemistry in Czechia Leader Award
  • 2023 - Research.com Chemistry in Czechia Leader Award
  • 2022 - Research.com Chemistry in Czechia Leader Award

Overview

Pavel Hobza is affiliated with the Czech Academy of Sciences in the Czech Republic. Their research spans multiple disciplines, primarily focusing on chemistry and materials science, with significant contributions in subfields such as materials chemistry, atomic and molecular physics and optics, organic chemistry, physical and theoretical chemistry, and electrical and electronic engineering.

The scientist's work covers a range of topics, including:

  • Molecular junctions and nanostructures
  • Crystallography and molecular interactions
  • Fullerene chemistry and applications
  • Graphene research and applications
  • Force microscopy techniques and applications
  • Mechanical and optical resonators
  • Advanced chemical physics studies

Frequent coauthors contributing alongside Pavel Hobza include Rabindranath Lo, Maximilián Lamanec, Debashree Manna, Dana Nachtigallová, and Martin Dračínský, indicating ongoing collaborative research efforts.

Among publication venues where Pavel Hobza has published multiple times are:

  • ChemPhysChem
  • ChemPlusChem
  • Angewandte Chemie International Edition
  • The Journal of Physical Chemistry A
  • Chemistry - A European Journal

Recent papers authored or coauthored by Pavel Hobza include:

  • "Real-space imaging of anisotropic charge of σ-hole by means of Kelvin probe force microscopy," 2021, published in Science
  • "The Structure-Based Design of SARS-CoV-2 nsp14 Methyltransferase Ligands Yields Nanomolar Inhibitors," 2021, published in ACS Infectious Diseases
  • "Hydrogen Bonding with Hydridic Hydrogen-Experimental Low-Temperature IR and Computational Study: Is a Revised Definition of Hydrogen Bonding Appropriate?," 2023, published in Journal of the American Chemical Society
  • "Carboxylated Graphene for Radical-Assisted Ultra-Trace-Level Water Treatment and Noble Metal Recovery," 2021, published in ACS Nano
  • "The stability of covalent dative bond significantly increases with increasing solvent polarity," 2022, published in Nature Communications

Best Publications

  • Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications

    Vasilios Georgakilas;Michal Otyepka;Athanasios B. Bourlinos;Vimlesh Chandra

  • Blue-Shifting Hydrogen Bonds.

    Pavel Hobza;Zdenek Havlas

  • Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs.

    Petr Jurečka;Jiří Šponer;Jiří Černý;Pavel Hobza

  • Definition of the hydrogen bond (IUPAC Recommendations 2011)

    Elangannan Arunan;Gautam R. Desiraju;Roger A. Klein;Joanna Sadlej

  • Noncovalent interactions: a challenge for experiment and theory

    Klaus Müller-Dethlefs;Pavel Hobza

  • Structure, energetics, and dynamics of the nucleic Acid base pairs: nonempirical ab initio calculations.

    Pavel Hobza;Jiří Šponer

  • Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment

    Marcus Elstner;Pavel Hobza;Thomas Frauenheim;Sándor Suhai

  • Defining the hydrogen bond: An account (IUPAC Technical Report)

    Elangannan Arunan;Gautam R. Desiraju;Roger A. Klein;Joanna Sadlej

  • S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures.

    Jan Řezáč;Kevin E. Riley;Pavel Hobza;Pavel Hobza

  • Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations

    Petr Jurečka;Petr Jurečka;Jiří Černý;Pavel Hobza;Dennis R. Salahub

  • Stabilization and structure calculations for noncovalent interactions in extended molecular systems based on wave function and density functional theories.

    Kevin E. Riley;Michal Pitonak;Petr Jurecka;Pavel Hobza

  • Potential Energy Surface for the Benzene Dimer. Results of ab Initio CCSD(T) Calculations Show Two Nearly Isoenergetic Structures: T-Shaped and Parallel-Displaced

    Pavel Hobza;Heinrich L. Selzle and;Edward W. Schlag

  • Intermolecular interactions between medium-sized systems. Nonempirical and empirical calculations of interaction energies. Successes and failures

    Pavel Hobza;Rudolf Zahradnik

  • Density functional theory and molecular clusters

    Pavel Hobza;Jiří šponer;Tomáš Reschel

  • Understanding of assembly phenomena by aromatic-aromatic interactions: benzene dimer and the substituted systems.

    Eun Cheol Lee;Dongwook Kim;Petr Jurečka;P. Tarakeshwar

  • Computer Modeling of Halogen Bonds and Other σ-Hole Interactions

    Michal H. Kolář;Michal H. Kolář;Pavel Hobza;Pavel Hobza

  • Accurate interaction energies of hydrogen-bonded nucleic acid base pairs.

    Jirí Sponer;Petr Jurecka;Pavel Hobza

  • Potential Energy Surface of the Benzene Dimer: Ab Initio Theoretical Study

    Pavel Hobza;Heinrich L. Selzle;Edward W. Schlag

  • Electronic properties, hydrogen bonding, stacking, and cation binding of DNA and RNA bases.

    Jiří Šponer;Jiří Šponer;Jerzy Leszczynski;Pavel Hobza

  • Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods.

    Jan Řezáč;Pavel Hobza;Pavel Hobza

  • Computer Modeling of Halogen Bonds and Other $\sigma$-Hole Interactions

    Michal H. Kolář;Pavel Hobza

Frequent Co-Authors

Jiří Šponer
Jiří Šponer Masaryk University
Petr Jurečka
Petr Jurečka Palacký University, Olomouc
Jerzy Leszczynski
Jerzy Leszczynski Jackson State University
Michal Otyepka
Michal Otyepka Palacký University, Olomouc
Edward W. Schlag
Edward W. Schlag Technical University of Munich
Mattanjah S. de Vries
Mattanjah S. de Vries University of California, Santa Barbara
Hans Lischka
Hans Lischka Texas Tech University
Klaus Müller-Dethlefs
Klaus Müller-Dethlefs University of Manchester
Mario Barbatti
Mario Barbatti Aix-Marseille University
Aleš Růžička
Aleš Růžička University of Pardubice

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