Pavel Hobza

58.0k total citations · 19 hit papers
560 papers, 50.1k citations indexed

About

Pavel Hobza is a scholar working on Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry and Molecular Biology. According to data from OpenAlex, Pavel Hobza has authored 560 papers receiving a total of 50.1k indexed citations (citations by other indexed papers that have themselves been cited), including 286 papers in Atomic and Molecular Physics, and Optics, 237 papers in Physical and Theoretical Chemistry and 211 papers in Molecular Biology. Recurrent topics in Pavel Hobza's work include Advanced Chemical Physics Studies (227 papers), Crystallography and molecular interactions (174 papers) and DNA and Nucleic Acid Chemistry (147 papers). Pavel Hobza is often cited by papers focused on Advanced Chemical Physics Studies (227 papers), Crystallography and molecular interactions (174 papers) and DNA and Nucleic Acid Chemistry (147 papers). Pavel Hobza collaborates with scholars based in Czechia, United States and Germany. Pavel Hobza's co-authors include Jiřı́ Šponer, Jan Řezáč, Kevin E. Riley, Petr Jurečka, Zdeněk Havlas, Jiří Černý, Klaus Müller‐Dethlefs, H. L. Selzle, Michal Pitoňák and Jerzy Leszczyński and has published in prestigious journals such as Science, Chemical Reviews and Proceedings of the National Academy of Sciences.

In The Last Decade

Pavel Hobza

547 papers receiving 49.3k citations

Hit Papers

Functionalization of Graphene: ... 1988 2026 2000 2013 2012 2000 1999 2006 2011 1000 2.0k 3.0k
What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

  1. Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications
    2012 3.3k citations Pavel Hobza, Radek Zbořil et al. profile →
  2. Blue-Shifting Hydrogen Bonds
    2000 1.6k citations Pavel Hobza et al. profile →
  3. Noncovalent Interactions:  A Challenge for Experiment and Theory
    1999 1.6k citations Pavel Hobza et al. profile →
  4. 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
    2006 1.5k citations Jiřı́ Šponer, Pavel Hobza et al. Physical Chemistry Chemical Physics profile →
  5. Definition of the hydrogen bond (IUPAC Recommendations 2011)
    2011 1.5k citations Pavel Hobza et al. profile →
  6. Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment
    2001 902 citations Pavel Hobza et al. profile →
  7. Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs:  NonempiricalAb InitioCalculations
    1999 901 citations Pavel Hobza, Jiřı́ Šponer profile →
  8. Defining the hydrogen bond: An account (IUPAC Technical Report)
    2011 860 citations Pavel Hobza et al. profile →
  9. S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures
    2011 818 citations Jan Řezáč, Pavel Hobza et al. Journal of Chemical Theory and Computation profile →
  10. Stabilization and Structure Calculations for Noncovalent Interactions in Extended Molecular Systems Based on Wave Function and Density Functional Theories
    2010 662 citations Pavel Hobza et al. profile →
  11. Understanding of Assembly Phenomena by Aromatic−Aromatic Interactions:  Benzene Dimer and the Substituted Systems
    2007 591 citations Pavel Hobza et al. profile →
  12. Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations
    2006 577 citations Pavel Hobza et al. Journal of Computational Chemistry profile →
  13. Computer Modeling of Halogen Bonds and Other σ-Hole Interactions
    2016 562 citations Pavel Hobza et al. profile →
  14. Potential Energy Surface for the Benzene Dimer. Results of ab Initio CCSD(T) Calculations Show Two Nearly Isoenergetic Structures:  T-Shaped and Parallel-Displaced
    1996 538 citations Pavel Hobza et al. profile →
  15. Intermolecular interactions between medium-sized systems. Nonempirical and empirical calculations of interaction energies. Successes and failures
    1988 482 citations Pavel Hobza et al. profile →
  16. Density functional theory and molecular clusters
    1995 467 citations Pavel Hobza, Jiřı́ Šponer et al. Journal of Computational Chemistry profile →
  17. Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods
    2011 435 citations Jan Řezáč, Pavel Hobza Journal of Chemical Theory and Computation profile →
  18. Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications
    2016 367 citations Jan Řezáč, Pavel Hobza profile →
  19. Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the “Gold Standard,” CCSD(T) at the Complete Basis Set Limit?
    2013 363 citations Jan Řezáč, Pavel Hobza Journal of Chemical Theory and Computation profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name h Career Trend Papers Cites
Pavel Hobza Czechia 109 20.0k 19.1k 14.1k 11.6k 11.4k 560 50.1k
Benedetta Mennucci Italy 78 16.6k 0.8× 15.8k 0.8× 9.3k 0.7× 13.4k 1.2× 19.1k 1.7× 348 52.0k
Walter Thiel Germany 97 15.2k 0.8× 7.7k 0.4× 9.4k 0.7× 11.3k 1.0× 15.3k 1.3× 725 46.0k
Mark S. Gordon United States 81 25.2k 1.3× 11.1k 0.6× 5.5k 0.4× 14.4k 1.2× 16.3k 1.4× 572 54.6k
Keiji Morokuma United States 99 18.0k 0.9× 7.9k 0.4× 7.2k 0.5× 13.3k 1.1× 18.1k 1.6× 831 50.1k
Michael J. Frisch United States 92 31.0k 1.5× 17.7k 0.9× 9.4k 0.7× 20.9k 1.8× 28.4k 2.5× 280 81.5k
Jacopo Tomasi Italy 56 11.4k 0.6× 11.3k 0.6× 6.0k 0.4× 9.7k 0.8× 17.9k 1.6× 193 40.5k
H. Bernhard Schlegel United States 84 18.7k 0.9× 7.6k 0.4× 4.7k 0.3× 9.7k 0.8× 17.9k 1.6× 446 45.8k
Vincenzo Barone Italy 99 28.3k 1.4× 20.5k 1.1× 11.0k 0.8× 24.4k 2.1× 29.1k 2.6× 904 87.2k
Christopher J. Cramer United States 99 11.7k 0.6× 8.9k 0.5× 8.0k 0.6× 16.8k 1.4× 25.0k 2.2× 545 60.8k
Martin Head‐Gordon United States 114 43.2k 2.2× 16.7k 0.9× 5.7k 0.4× 21.8k 1.9× 15.0k 1.3× 684 77.7k

Countries citing papers authored by Pavel Hobza

Since Specialization
Citations

This map shows the geographic impact of Pavel Hobza's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Pavel Hobza with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Pavel Hobza more than expected).

Fields of papers citing papers by Pavel Hobza

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Pavel Hobza. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Pavel Hobza. The network helps show where Pavel Hobza may publish in the future.

Co-authorship network of co-authors of Pavel Hobza

This figure shows the co-authorship network connecting the top 25 collaborators of Pavel Hobza. A scholar is included among the top collaborators of Pavel Hobza based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Pavel Hobza. Pavel Hobza is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

20 of 20 papers shown
1.
Šedajová, Veronika, Debabrata Nandi, Rabindranath Lo, et al.. (2025). Direct upcycling of highly efficient sorbents for emerging organic contaminants into high energy content supercapacitors. Journal of Colloid and Interface Science. 692. 137481–137481. 7 indexed citations
2.
Chandra, Asit K., et al.. (2024). Bio-Nano Synergy in Therapeutic Applications: Drug–Graphene Oxide Nanocomposites for Modulated Acetylcholinesterase Inhibition and Radical Scavenging. The Journal of Physical Chemistry B. 128(30). 7427–7437. 2 indexed citations
3.
Nachtigallová, Dana, et al.. (2024). Similarities and Differences of Hydridic and Protonic Hydrogen Bonding. ChemPhysChem. 25(17). e202400403–e202400403. 7 indexed citations
4.
Manna, Debashree, Rabindranath Lo, Jaroslav Vacek, et al.. (2024). The Stability of Hydrogen‐Bonded Ion‐Pair Complex Unexpectedly Increases with Increasing Solvent Polarity. Angewandte Chemie International Edition. 63(20). e202403218–e202403218. 8 indexed citations
5.
Lo, Rabindranath, et al.. (2023). Trends in the stability of covalent dative bonds with variable solvent polarity depend on the charge transfer in the Lewis electron-pair system. Physical Chemistry Chemical Physics. 25(38). 25961–25964. 5 indexed citations
6.
Manna, Debashree, Rabindranath Lo, Dana Nachtigallová, Zdeněk Trávnı́ček, & Pavel Hobza. (2023). The Impact of the Solvent Dielectric Constant on A←NH3 Dative Bond Depends on the Nature of the Lewis Electron‐Pair Systems. Chemistry - A European Journal. 29(35). e202300635–e202300635. 8 indexed citations
7.
Manna, Debashree, et al.. (2023). Impact of dielectric constant of solvent on the formation of transition metal‐ammine complexes. Journal of Computational Chemistry. 45(4). 204–209. 8 indexed citations
8.
Sarmah, Amrit, et al.. (2023). Strong Be−N Interaction Induced Complementary Chemical Tuning to Design a Dual‐gated Single Molecule Junction. Chemistry - A European Journal. 29(52). e202301473–e202301473. 4 indexed citations
9.
Kolouchová, Kristýna, Jan Kučka, Jan Krijt, et al.. (2020). Chelating Polymers for Hereditary Hemochromatosis Treatment. Macromolecular Bioscience. 20(12). e2000254–e2000254. 5 indexed citations
10.
Becucci, Maurizio, et al.. (2017). Non-covalent interactions in anisole–(CO2)n (n = 1, 2) complexes. Physical Chemistry Chemical Physics. 19(34). 22749–22758. 2 indexed citations
11.
Sigwalt, David, Marina Šekutor, Liping Cao, et al.. (2017). Unraveling the Structure–Affinity Relationship between Cucurbit[n]urils (n = 7, 8) and Cationic Diamondoids. Journal of the American Chemical Society. 139(8). 3249–3258. 77 indexed citations
12.
Stasyuk, Olga A., Dávid Jakubec, Jiřı́ Vondrášek, & Pavel Hobza. (2016). Noncovalent Interactions in Specific Recognition Motifs of Protein–DNA Complexes. Journal of Chemical Theory and Computation. 13(2). 877–885. 21 indexed citations
13.
Mäder, P., Adam Pecina, Petr Cígler, et al.. (2014). Carborane-Based Carbonic Anhydrase Inhibitors: Insight into CAII/CAIX Specificity from a High-Resolution Crystal Structure, Modeling, and Quantum Chemical Calculations. BioMed Research International. 2014. 1–9. 21 indexed citations
14.
Elango, M., Róbert Sedlák, & Pavel Hobza. (2011). On the Nature of the Stabilization of Benzene⋅⋅⋅Dihalogen and Benzene⋅⋅⋅Dinitrogen Complexes: CCSD(T)/CBS and DFT‐SAPT Calculations. ChemPhysChem. 12(17). 3253–3261. 41 indexed citations
15.
Hobza, Pavel, et al.. (2009). Microhydration of guanine⋯cytosine base pairs, a theoretical Study on the role of water in stability, structure and tautomeric equilibrium. Physical Chemistry Chemical Physics. 11(18). 3430–3430. 14 indexed citations
16.
Kabeláč, Martin, Pavel Hobza, & V. S̆pirko. (2009). The structure and vibrational dynamics of the pyrrole dimer. Physical Chemistry Chemical Physics. 11(20). 3885–3885. 13 indexed citations
17.
Kubař, Tomáš, Michal Hanus, Filip Ryjáček, & Pavel Hobza. (2005). Binding of Cationic and Neutral Phenanthridine Intercalators to a DNA Oligomer Is Controlled by Dispersion Energy: Quantum Chemical Calculations and Molecular Mechanics Simulations. Chemistry - A European Journal. 12(1). 280–290. 67 indexed citations
18.
Stiborová, Marie, Vilı́m Šimánek, Eva Frei, Pavel Hobza, & Jitka Ulrichová. (2002). DNA adduct formation from quaternary benzo[c]phenanthridine alkaloids sanguinarine and chelerythrine as revealed by the 32P-postlabeling technique. Chemico-Biological Interactions. 140(3). 231–242. 71 indexed citations
19.
Šponer, Jiřı́, Imre Berger, Nad’a Špačková, Jerzy Leszczyński, & Pavel Hobza. (2000). Aromatic Base Stacking in DNA: Fromab initioCalculations to Molecular Dynamics Simulations. Journal of Biomolecular Structure and Dynamics. 17(sup1). 1–24. 23 indexed citations
20.
Vondrášek, Jiřı́, J. Šponar, & Pavel Hobza. (1994). An Empirical Potential Study of the Interaction of L—;Lysine—;L—;Alanine—;L—;Alanine Tripeptide with Four models of B—;DNA with different Compositions. Journal of Biomolecular Structure and Dynamics. 11(4). 869–880. 1 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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