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Warren J. Hehre

D-Index & Metrics

Chemistry

D-Index
74
Citations
101905
World Ranking
4570
National Ranking
1437

Warren J. Hehre publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where Warren J. Hehre sits on this spectrum.

61–80 publications: 66 scientists 81–100 publications: 302 scientists 101–120 publications: 623 scientists 121–140 publications: 918 scientists 141–160 publications: 1,218 scientists 161–180 publications: 1,350 scientists 181–200 publications: 1,344 scientists 201–220 publications: 1,281 scientists 221–240 publications: 1,216 scientists 241–260 publications: 1,100 scientists 261–280 publications: 979 scientists 281–300 publications: 939 scientists 301–320 publications: 764 scientists 321–340 publications: 643 scientists 341–360 publications: 628 scientists 361–380 publications: 522 scientists 381–400 publications: 459 scientists 401–420 publications: 397 scientists 421–440 publications: 327 scientists 441–460 publications: 270 scientists 461–480 publications: 265 scientists 481–500 publications: 252 scientists 501–520 publications: 201 scientists 521–540 publications: 185 scientists 541–560 publications: 148 scientists 561–580 publications: 148 scientists 581–600 publications: 132 scientists 601–620 publications: 114 scientists 621–640 publications: 104 scientists 641–660 publications: 91 scientists 661–680 publications: 92 scientists 681–700 publications: 73 scientists 701–720 publications: 57 scientists 721–740 publications: 54 scientists 741–760 publications: 67 scientists 761–780 publications: 45 scientists 781–800 publications: 46 scientists 801–820 publications: 39 scientists 821–840 publications: 32 scientists 841–860 publications: 36 scientists 861–880 publications: 29 scientists 881–900 publications: 26 scientists 901–920 publications: 24 scientists 921–940 publications: 14 scientists 941–960 publications: 23 scientists 961–980 publications: 28 scientists 981–1,000 publications: 15 scientists 1,001–1,020 publications: 29 scientists 1,021–1,040 publications: 12 scientists 1,041–1,060 publications: 19 scientists 1,061–1,080 publications: 12 scientists 1,081–1,100 publications: 6 scientists 1,101–1,120 publications: 8 scientists 1,121–1,140 publications: 12 scientists 1,141–1,160 publications: 5 scientists 1,161–1,180 publications: 6 scientists 1,181–1,200 publications: 14 scientists 1,201–1,220 publications: 7 scientists 1,221–1,240 publications: 2 scientists 1,241–1,260 publications: 6 scientists 1,261–1,280 publications: 4 scientists 1,281–1,294 publications: 6 scientists 1,295+ publications: 100 scientists
61 publications 1,295+

This scientist: 256 publications — 51st percentile

51% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 1,295 publications or more.

Warren J. Hehre D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where Warren J. Hehre sits on this spectrum.

40–41 D-Index: 289 scientists 42–43 D-Index: 612 scientists 44–45 D-Index: 808 scientists 46–47 D-Index: 776 scientists 48–49 D-Index: 835 scientists 50–51 D-Index: 861 scientists 52–53 D-Index: 872 scientists 54–55 D-Index: 933 scientists 56–57 D-Index: 1,051 scientists 58–59 D-Index: 930 scientists 60–61 D-Index: 882 scientists 62–63 D-Index: 834 scientists 64–65 D-Index: 731 scientists 66–67 D-Index: 775 scientists 68–69 D-Index: 683 scientists 70–71 D-Index: 646 scientists 72–73 D-Index: 561 scientists 74–75 D-Index: 501 scientists 76–77 D-Index: 437 scientists 78–79 D-Index: 388 scientists 80–81 D-Index: 354 scientists 82–83 D-Index: 292 scientists 84–85 D-Index: 275 scientists 86–87 D-Index: 254 scientists 88–89 D-Index: 235 scientists 90–91 D-Index: 185 scientists 92–93 D-Index: 192 scientists 94–95 D-Index: 155 scientists 96–97 D-Index: 163 scientists 98–99 D-Index: 125 scientists 100–101 D-Index: 105 scientists 102–103 D-Index: 105 scientists 104–105 D-Index: 112 scientists 106–107 D-Index: 88 scientists 108–109 D-Index: 68 scientists 110–111 D-Index: 69 scientists 112–113 D-Index: 65 scientists 114–115 D-Index: 79 scientists 116–117 D-Index: 61 scientists 118–119 D-Index: 44 scientists 120–121 D-Index: 37 scientists 122–123 D-Index: 40 scientists 124–125 D-Index: 33 scientists 126–127 D-Index: 26 scientists 128–129 D-Index: 34 scientists 130–131 D-Index: 35 scientists 132–133 D-Index: 25 scientists 134–135 D-Index: 27 scientists 136–137 D-Index: 17 scientists 138–139 D-Index: 16 scientists 140–141 D-Index: 20 scientists 142–143 D-Index: 20 scientists 144–145 D-Index: 15 scientists 146–147 D-Index: 9 scientists 148–149 D-Index: 9 scientists 150–151 D-Index: 16 scientists 152–153 D-Index: 11 scientists 154–155 D-Index: 9 scientists 156–157 D-Index: 3 scientists 158 D-Index: 3 scientists 159+ D-Index: 98 scientists
40 D-Index 159+

This scientist: 74 D-Index — 75th percentile

75% of scientists in this discipline score the same or lower.

The last bar groups every scientist with 159 D-Index or more.

Research.com Recognitions

  • 1974 - Fellow of Alfred P. Sloan Foundation

Overview

Warren J. Hehre is affiliated with the University of California, Irvine in the United States. Their research spans multiple fields including chemistry, materials science, and computer science, with a focus on interdisciplinary approaches involving machine learning and computational methods.

The scientist's main fields of study include:

  • Chemistry
  • Materials Science
  • Computer Science

Subfields where Warren J. Hehre has contributed are:

  • Materials Chemistry
  • Computational Theory and Mathematics
  • Physical and Theoretical Chemistry
  • Spectroscopy

The primary topics of research cover:

  • Machine Learning in Materials Science
  • Computational Drug Discovery Methods
  • Crystallography and molecular interactions
  • Advanced NMR Techniques and Applications
  • Molecular spectroscopy and chirality

Warren J. Hehre has frequent co-authors with whom multiple publications have been produced. These include:

  • Thomas Hehre
  • Philip E. Klunzinger
  • Bernard Deppmeier
  • William Ohlinger
  • William Sean Ohlinger

The scientist has published articles mainly in these journals:

  • Journal of Computational Chemistry
  • Journal of Chemical Information and Modeling
  • The Journal of Organic Chemistry

Recent papers with their publication years and venues are:

  • Practical Machine Learning Strategies. I. Correcting the MMFF Molecular Mechanics Model to More Accurately Provide Conformational Energy Differences in Flexible Organic Molecules, 2025, Journal of Computational Chemistry
  • Accurate Prediction of ωB97X-D/6-31G* Equilibrium Geometries from a Neural Net Starting from Merck Molecular Force Field (MMFF) Molecular Mechanics Geometries, 2025, Journal of Chemical Information and Modeling
  • Practical Machine Learning Strategies. 2. Accurate Prediction of ωB97X-V/6-311+G(2df,2p), ωB97M-V/6-311+G(2df,2p) and ωB97M(2)/6-311+G(2df,2p) Energies From Neural Networks Trained From ωB97X-D/6-31G* Equilibrium Geometries and Energies, 2025, Journal of Computational Chemistry
  • Practical Machine Learning Strategies 4: Using Neural Networks to Replicate Proton and 13C NMR Chemical Shifts Obtained from ωB97X-D/6-31G* Density Functional Calculations, 2025, The Journal of Organic Chemistry

In 1974, Warren J. Hehre was recognized as a Fellow of the Alfred P. Sloan Foundation. This award is part of the documented honors in their career.

Best Publications

  • Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules

    W. J. Hehre;R. Ditchfield;J. A. Pople

  • Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules

    R. Ditchfield;W. J. Hehre;J. A. Pople

  • Self‐consistent molecular orbital methods. XXIII. A polarization‐type basis set for second‐row elements

    Michelle M. Francl;William J. Pietro;Warren J. Hehre;J. Stephen Binkley

  • Self‐Consistent Molecular‐Orbital Methods. I. Use of Gaussian Expansions of Slater‐Type Atomic Orbitals

    W. J. Hehre;Robert F. Stewart;J. A. Pople

  • Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements

    J. Stephen Binkley;John A. Pople;Warren J. Hehre

  • Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

    Yihan Shao;Zhengting Gan;Evgeny Epifanovsky;Andrew T. B. Gilbert

  • Advances in methods and algorithms in a modern quantum chemistry program package

    Yihan Shao;Laszlo Fusti Molnar;Yousung Jung;Jörg Kussmann

  • Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements

    Mark S. Gordon;J. Stephen Binkley;John A. Pople;William J. Pietro

  • Molecular orbital studies of vibrational frequencies

    J. A. Pople;H. B. Schlegel;R. Krishnan;D. J. Defrees

  • Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation

    Warren J. Hehre;R. Ditchfield;L. Radom;John A. Pople

  • Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Evgeny Epifanovsky;Andrew T.B. Gilbert;Andrew T.B. Gilbert;Xintian Feng;Xintian Feng;Joonho Lee

  • Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements

    Unknown

  • Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening sigma bonds

    Roald Hoffmann;Akira Imamura;Warren J. Hehre

  • Self‐Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater‐Type Orbitals. Extension to Second‐Row Molecules

    W. J. Hehre;R. Ditchfield;R. F. Stewart;J. A. Pople

  • Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third‐and fourth‐row, main‐group elements

    K. D. Dobbs;W. J. Hehre

  • Molecular orbital theory of the properties of inorganic and organometallic compounds 5. Extended basis sets for first‐row transition metals

    K. D. Dobbs;W. J. Hehre

  • Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules

    Leo Radom;Warren J. Hehre;John A. Pople

  • Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cations

    W. A. Lathan;W. J. Hehre;L. A. Curtiss;J. A. Pople

  • Molecular orbital theory of the electronic structure of organic compounds. VIII. Geometries, energies, and polarities of C3 hydrocarbons

    L. Radom;W. A. Lathan;W. J. Hehre;J. A. Pople

  • Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes

    Warren J. Hehre;Leo Radom;John A. Pople

  • Molecular orbital theory of the electronic structure of organic compounds. VII. Systematic study of energies, conformations, and bond interactions

    John A. Pople;Leo Radom;Warren J. Hehre

  • A scale of directional substituent polarizability parameters from ab initio calculations of polarizability potentials

    Warren J. Hehre;Chin Fong. Pau;Allan D. Headley;Robert W. Taft

Frequent Co-Authors

John A. Pople
John A. Pople Stanford University
Leo Radom
Leo Radom University of Sydney
Paul v. R. Schleyer
Paul v. R. Schleyer University of Georgia
Robert W. Taft
Robert W. Taft University of California, Irvine
Larry E. Overman
Larry E. Overman University of California, Irvine
Philippe C. Hiberty
Philippe C. Hiberty University of Paris-Saclay
Helmut Schwarz
Helmut Schwarz Technical University of Berlin
Roald Hoffmann
Roald Hoffmann Cornell University
Mark S. Gordon
Mark S. Gordon Iowa State University
Martin Head-Gordon
Martin Head-Gordon University of California, Berkeley

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Best Scientists Citing Warren J. Hehre

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Ibon Alkorta

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Spanish National Research Council

Publications: 156

Andreas Dreuw

Andreas Dreuw

Heidelberg University

Publications: 128

Henry F. Schaefer

Henry F. Schaefer

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Publications: 122

Mark S. Gordon

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Iowa State University

Publications: 113

Shigeru Nagase

Shigeru Nagase

Fukui Institute for Fundamental Chemistry

Publications: 105

Imre G. Csizmadia

Imre G. Csizmadia

University of Toronto

Publications: 105

Agustí Lledós

Agustí Lledós

Autonomous University of Barcelona

Publications: 102

Laurent Maron

Laurent Maron

Federal University of Toulouse Midi-Pyrénées

Publications: 94

Janet E. Del Bene

Janet E. Del Bene

Youngstown State University

Publications: 91

Feliu Maseras

Feliu Maseras

Institut Català d'Investigació Química

Publications: 90

Hans Ågren

Hans Ågren

Uppsala University

Publications: 88

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Texas Tech University

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