Warren J. Hehre

78.3k total citations · 23 hit papers
214 papers, 62.0k citations indexed

About

Warren J. Hehre is a scholar working on Organic Chemistry, Physical and Theoretical Chemistry and Spectroscopy. According to data from OpenAlex, Warren J. Hehre has authored 214 papers receiving a total of 62.0k indexed citations (citations by other indexed papers that have themselves been cited), including 120 papers in Organic Chemistry, 79 papers in Physical and Theoretical Chemistry and 73 papers in Spectroscopy. Recurrent topics in Warren J. Hehre's work include Advanced Chemical Physics Studies (53 papers), Various Chemistry Research Topics (41 papers) and Inorganic and Organometallic Chemistry (31 papers). Warren J. Hehre is often cited by papers focused on Advanced Chemical Physics Studies (53 papers), Various Chemistry Research Topics (41 papers) and Inorganic and Organometallic Chemistry (31 papers). Warren J. Hehre collaborates with scholars based in United States, Germany and Japan. Warren J. Hehre's co-authors include John A. Pople, R. Ditchfield, J. Stephen Binkley, William J. Pietro, Mark S. Gordon, R. F. Stewart, Michelle Francl, Douglas J. DeFrees, Leo Radom and Kerwin D. Dobbs and has published in prestigious journals such as Journal of the American Chemical Society, The Journal of Chemical Physics and Accounts of Chemical Research.

In The Last Decade

Warren J. Hehre

210 papers receiving 59.9k citations

Hit Papers

Self—Consistent Molecular Orbital Methods. XII. Further E... 1968 2026 1987 2006 1972 1971 1982 1976 1980 4.0k 8.0k 12.0k
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. Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules
    1972 13.9k citations Warren J. Hehre, R. Ditchfield et al. The Journal of Chemical Physics profile →
  2. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
    1971 9.2k citations R. Ditchfield, Warren J. Hehre et al. The Journal of Chemical Physics profile →
  3. Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements
    1982 7.3k citations Warren J. Hehre, J. Stephen Binkley et al. The Journal of Chemical Physics profile →
  4. Ab initio molecular orbital theory
    1976 7.1k citations Warren J. Hehre Accounts of Chemical Research profile →
  5. Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
    1980 3.5k citations J. Stephen Binkley, John A. Pople et al. Journal of the American Chemical Society profile →
  6. Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals
    1969 3.5k citations Warren J. Hehre, R. F. Stewart et al. The Journal of Chemical Physics profile →
  7. Self-consistent molecular-orbital methods. 22. Small split-valence basis sets for second-row elements
    1982 1.9k citations J. Stephen Binkley, John A. Pople et al. Journal of the American Chemical Society profile →
  8. A scale of directional substituent polarizability parameters from ab initio calculations of polarizability potentials
    1986 1.1k citations Warren J. Hehre, C. F. Pau et al. Journal of the American Chemical Society profile →
  9. Self-consistent molecular orbital methods. 24. Supplemented small split-valence basis sets for second-row elements
    1982 1.1k citations Warren J. Hehre, D. J. DeFrees et al. Journal of the American Chemical Society profile →
  10. Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separation
    1970 782 citations Warren J. Hehre, R. Ditchfield et al. Journal of the American Chemical Society profile →
  11. Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row Molecules
    1970 622 citations Warren J. Hehre, R. Ditchfield et al. The Journal of Chemical Physics profile →
  12. Benzynes, dehydroconjugated molecules, and the interaction of orbitals separated by a number of intervening sigma bonds
    1968 595 citations Warren J. Hehre et al. Journal of the American Chemical Society profile →
  13. Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third‐and fourth‐row, main‐group elements
    1986 457 citations Kerwin D. Dobbs, Warren J. Hehre Journal of Computational Chemistry profile →
  14. Molecular orbital theory of the properties of inorganic and organometallic compounds 5. Extended basis sets for first‐row transition metals
    1987 407 citations Kerwin D. Dobbs, Warren J. Hehre Journal of Computational Chemistry profile →
  15. Molecular orbital theory of the electronic structure of organic compounds. X. Systematic study of geometries and energies of AHn molecules and cations
    1971 385 citations William A. Lathan, Warren J. Hehre et al. Journal of the American Chemical Society profile →
  16. Molecular orbital theory of the electronic structure of organic compounds. XIII. Fourier component analysis of internal rotation potential functions in saturated molecules
    1972 366 citations Leo Radom, Warren J. Hehre et al. Journal of the American Chemical Society profile →
  17. Molecular orbital theory of the electronic structure of organic compounds. VIII. Geometries, energies, and polarities of C3 hydrocarbons
    1971 344 citations Leo Radom, William A. Lathan et al. Journal of the American Chemical Society profile →
  18. Molecular orbital theory of the electronic structure of organic compounds. VII. Systematic study of energies, conformations, and bond interactions
    1971 283 citations John A. Pople, Leo Radom et al. Journal of the American Chemical Society profile →
  19. Molecular orbital theory of the electronic structure of organic compounds. XII. Conformations, stabilities, and charge distributions in monosubstituted benzenes
    1972 266 citations Warren J. Hehre, Leo Radom et al. Journal of the American Chemical Society profile →
  20. Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons
    1971 217 citations John A. Pople, William A. Lathan et al. Journal of the American Chemical Society profile →
  21. Molecular orbital theory of the electronic structure of organic compounds. XVII. Internal rotation in 1,2-disubstituted ethanes
    1973 214 citations Leo Radom, William A. Lathan et al. Journal of the American Chemical Society profile →
  22. Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants
    1970 189 citations Marshall D. Newton, William A. Lathan et al. The Journal of Chemical Physics profile →
  23. Strong conformational consequences of hyperconjugation
    1972 188 citations Leo Radom, John A. Pople et al. Journal of the American Chemical Society profile →

Peers — A (Enhanced Table)

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

Name h Career Trend Papers Cites
Warren J. Hehre United States 61 25.7k 21.9k 15.3k 12.8k 12.2k 214 62.0k
J. Stephen Binkley United States 43 16.4k 0.6× 17.5k 0.8× 12.0k 0.8× 8.7k 0.7× 8.6k 0.7× 78 45.1k
Frank Weinhold United States 66 26.0k 1.0× 15.7k 0.7× 11.8k 0.8× 14.1k 1.1× 8.9k 0.7× 235 55.2k
Mark S. Gordon United States 81 16.3k 0.6× 25.2k 1.1× 14.4k 0.9× 11.1k 0.9× 10.0k 0.8× 572 54.6k
Paul von Ragué Schleyer Germany 109 45.7k 1.8× 14.7k 0.7× 17.4k 1.1× 11.5k 0.9× 9.8k 0.8× 1.0k 69.1k
Keiji Morokuma United States 99 18.1k 0.7× 18.0k 0.8× 13.3k 0.9× 7.9k 0.6× 7.8k 0.6× 831 50.1k
Richard F. W. Bader Canada 56 16.7k 0.7× 13.8k 0.6× 12.1k 0.8× 16.1k 1.3× 6.7k 0.6× 94 42.4k
Chengteh Lee United States 19 35.5k 1.4× 23.5k 1.1× 27.7k 1.8× 15.2k 1.2× 13.1k 1.1× 26 90.2k
Evert Jan Baerends Netherlands 93 16.8k 0.7× 23.0k 1.1× 20.2k 1.3× 10.1k 0.8× 7.1k 0.6× 368 57.5k
Henry F. Schaefer United States 114 21.3k 0.8× 42.4k 1.9× 11.9k 0.8× 12.3k 1.0× 17.1k 1.4× 1.7k 69.5k
Reinhart Ahlrichs Germany 79 31.6k 1.2× 27.8k 1.3× 30.2k 2.0× 14.9k 1.2× 12.1k 1.0× 324 91.0k

Countries citing papers authored by Warren J. Hehre

Since Specialization
Citations

This map shows the geographic impact of Warren J. Hehre'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 Warren J. Hehre with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Warren J. Hehre more than expected).

Fields of papers citing papers by Warren J. Hehre

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Warren J. Hehre. 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 Warren J. Hehre. The network helps show where Warren J. Hehre may publish in the future.

Co-authorship network of co-authors of Warren J. Hehre

This figure shows the co-authorship network connecting the top 25 collaborators of Warren J. Hehre. A scholar is included among the top collaborators of Warren J. Hehre 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 Warren J. Hehre. Warren J. Hehre 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.
Hehre, Warren J., et al.. (2025). Accurate Prediction of ωB97X-D/6-31G* Equilibrium Geometries from a Neural Net Starting from Merck Molecular Force Field (MMFF) Molecular Mechanics Geometries. Journal of Chemical Information and Modeling. 65(5). 2314–2321. 2 indexed citations
2.
Freeman, Fillmore, et al.. (1999). Molecular orbital study of the conformational energies (−ΔG° orA values) of 2-alkyltetrahydro-2H-thiopyrans (tetrahydrothiopyrans, thiacyclohexanes, thianes). Journal of Physical Organic Chemistry. 12(3). 176–186. 34 indexed citations
3.
Freeman, Fillmore, et al.. (1998). Ab initio molecular orbital study of energies and conformers of 3,4-dihydro-1,2-dithiin, 3,6-dihydro-1,2-dithiin, 4H-1,3-dithiin, and 2,3-dihydro-1,4-dithiin. Journal of Computational Chemistry. 19(9). 1064–1071. 12 indexed citations
4.
Kahn, Scott D., C. F. Pau, & Warren J. Hehre. (1988). Models for chemical reactivity: Mapping of intermolecular potentials onto electron density surfaces. International Journal of Quantum Chemistry. 34(S22). 575–591. 10 indexed citations
5.
Kahn, Scott D. & Warren J. Hehre. (1988). Modeling chemical reactivity. 8. Asymmetric induction in [3,3] sigmatropic rearrangements. The Journal of Organic Chemistry. 53(2). 301–305. 26 indexed citations
6.
Dobbs, Kerwin D. & Warren J. Hehre. (1986). Molecular orbital theory of the properties of inorganic and organometallic compounds 4. Extended basis sets for third‐and fourth‐row, main‐group elements. Journal of Computational Chemistry. 7(3). 359–378. 457 indexed citations breakdown →
7.
DeFrees, D. J., M. Taagepera, Beverly A. Levi, et al.. (1979). Role of hyperconjugation in secondary .beta.-deuterium isotope effects. Journal of the American Chemical Society. 101(19). 5532–5536. 19 indexed citations
8.
Bartmess, John E., Warren J. Hehre, Robert T. McIver, & Larry E. Overman. (1977). Gas phase acidities of the 2-butenes. The use of organometallics as models for free carbanions. Journal of the American Chemical Society. 99(6). 1976–1977. 19 indexed citations
9.
Wolf, J. F., et al.. (1976). Isotope effects on gas phase reaction processes. 2. Equilibrium isotope effects on the proton transfer reactions of methylbenzenes. Journal of the American Chemical Society. 98(17). 5097–5101. 4 indexed citations
10.
Cremer, Dieter, J. Stephen Binkley, John A. Pople, & Warren J. Hehre. (1975). ChemInform Abstract: MOLECULAR ORBITAL THEORY OF THE ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS PART 21, ROTATIONAL POTENTIALS FOR GEMINAL METHYL GROUPS. Chemischer Informationsdienst. 6(2). 1 indexed citations
11.
Hehre, Warren J.. (1975). Theoretical approaches to the structure of carbocations. Accounts of Chemical Research. 8(11). 369–376. 50 indexed citations
12.
Hehre, Warren J. & Philippe C. Hiberty. (1974). Theoretical approaches to rearrangements in carbocations. I. Haloethyl system. Journal of the American Chemical Society. 96(9). 2665–2677. 33 indexed citations
13.
Lathan, William A., Leo Radom, Warren J. Hehre, & John A. Pople. (1973). Molecular orbital theory of the electronic structure of organic compounds. XVIII. Conformations and stabilities of trisubstituted methanes. Journal of the American Chemical Society. 95(3). 699–703. 38 indexed citations
14.
Hehre, Warren J. & William A. Lathan. (1972). Self-Consistent Molecular Orbital Methods. XIV. An Extended Gaussian-Type Basis for Molecular Orbital Studies of Organic Molecules. Inclusion of Second Row Elements. The Journal of Chemical Physics. 56(11). 5255–5257. 192 indexed citations
15.
Ditchfield, R., Warren J. Hehre, & John A. Pople. (1971). Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules. The Journal of Chemical Physics. 54(2). 724–728. 9175 indexed citations breakdown →
16.
Hehre, Warren J., R. Ditchfield, R. F. Stewart, & John A. Pople. (1970). Self-Consistent Molecular Orbital Methods. IV. Use of Gaussian Expansions of Slater-Type Orbitals. Extension to Second-Row Molecules. The Journal of Chemical Physics. 52(5). 2769–2773. 622 indexed citations breakdown →
17.
Stewart, R. F. & Warren J. Hehre. (1970). Small Gaussian Expansions of Atomic Orbitals: Second-Row Atoms. The Journal of Chemical Physics. 52(10). 5243–5247. 11 indexed citations
18.
Ditchfield, R., Warren J. Hehre, & John A. Pople. (1970). Self-Consistent Molecular Orbital Methods. VI. Energy Optimized Gaussian Atomic Orbitals. The Journal of Chemical Physics. 52(10). 5001–5007. 107 indexed citations
19.
Newton, Marshall D., William A. Lathan, Warren J. Hehre, & John A. Pople. (1970). Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants. The Journal of Chemical Physics. 52(8). 4064–4072. 189 indexed citations breakdown →
20.
Hehre, Warren J., R. F. Stewart, & John A. Pople. (1969). Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals. The Journal of Chemical Physics. 51(6). 2657–2664. 3527 indexed citations breakdown →

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