John A. Pople

199.1k total citations · 81 hit papers
499 papers, 172.6k citations indexed

About

John A. Pople is a scholar working on Atomic and Molecular Physics, and Optics, Organic Chemistry and Physical and Theoretical Chemistry. According to data from OpenAlex, John A. Pople has authored 499 papers receiving a total of 172.6k indexed citations (citations by other indexed papers that have themselves been cited), including 276 papers in Atomic and Molecular Physics, and Optics, 169 papers in Organic Chemistry and 138 papers in Physical and Theoretical Chemistry. Recurrent topics in John A. Pople's work include Advanced Chemical Physics Studies (244 papers), Spectroscopy and Quantum Chemical Studies (80 papers) and Chemical Thermodynamics and Molecular Structure (49 papers). John A. Pople is often cited by papers focused on Advanced Chemical Physics Studies (244 papers), Spectroscopy and Quantum Chemical Studies (80 papers) and Chemical Thermodynamics and Molecular Structure (49 papers). John A. Pople collaborates with scholars based in United States, United Kingdom and Germany. John A. Pople's co-authors include Warren J. Hehre, J. Stephen Binkley, P. C. Hariharan, R. Ditchfield, Krishnan Raghavachari, Martin Head‐Gordon, Michael J. Frisch, R. Krishnan, Larry A. Curtiss and Rolf Seeger and has published in prestigious journals such as Journal of the American Chemical Society, Physical Review Letters and Angewandte Chemie International Edition.

In The Last Decade

John A. Pople

496 papers receiving 166.7k citations

Hit Papers

Self-consistent molecular orbital methods. XX. A basis... 1953 2026 1977 2001 1980 1973 1972 1971 1984 5.0k 10.0k 15.0k
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. XX. A basis set for correlated wave functions
    1980 15.3k citations R. Krishnan, J. Stephen Binkley et al. The Journal of Chemical Physics profile →
  2. The influence of polarization functions on molecular orbital hydrogenation energies
    1973 14.1k citations P. C. Hariharan, John A. Pople Theoretical Chemistry Accounts profile →
  3. 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 →
  4. 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 →
  5. Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets
    1984 7.6k citations John A. Pople, J. Stephen Binkley et al. The Journal of Chemical Physics profile →
  6. A fifth-order perturbation comparison of electron correlation theories
    1989 7.4k citations John A. Pople et al. profile →
  7. 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 →
  8. Quadratic configuration interaction. A general technique for determining electron correlation energies
    1987 4.1k citations John A. Pople et al. The Journal of Chemical Physics profile →
  9. 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. profile →
  10. Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals
    1969 3.5k citations Warren J. Hehre, John A. Pople et al. The Journal of Chemical Physics profile →
  11. Gaussian-2 theory for molecular energies of first- and second-row compounds
    1991 3.1k citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  12. Approximate molecular orbital theory
    1970 2.7k citations John A. Pople et al. profile →
  13. Gaussian-3 (G3) theory for molecules containing first and second-row atoms
    1998 2.5k citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  14. MP2 energy evaluation by direct methods
    1988 2.5k citations John A. Pople et al. profile →
  15. Toward a systematic molecular orbital theory for excited states
    1992 2.2k citations John A. Pople et al. profile →
  16. Accuracy of AHnequilibrium geometries by single determinant molecular orbital theory
    1974 2.1k citations P. C. Hariharan, John A. Pople profile →
  17. 6‐31G* basis set for third‐row atoms
    2001 2.0k citations John A. Pople, Larry A. Curtiss et al. profile →
  18. Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
    1997 1.9k citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  19. 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. profile →
  20. 6-31G* basis set for atoms K through Zn
    1998 1.8k citations John A. Pople et al. The Journal of Chemical Physics profile →
  21. The performance of a family of density functional methods
    1993 1.7k citations John A. Pople et al. The Journal of Chemical Physics profile →
  22. A direct MP2 gradient method
    1990 1.6k citations John A. Pople et al. profile →
  23. Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems
    1966 1.6k citations John A. Pople et al. The Journal of Chemical Physics profile →
  24. Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures
    1965 1.3k citations John A. Pople et al. The Journal of Chemical Physics profile →
  25. High-resolution Nuclear Magnetic Resonance
    1960 1.3k citations John A. Pople, W. G. Schneider et al. profile →
  26. Self-Consistent Orbitals for Radicals
    1954 1.3k citations John A. Pople et al. The Journal of Chemical Physics profile →
  27. Gaussian-1 theory: A general procedure for prediction of molecular energies
    1989 1.3k citations John A. Pople, Larry A. Curtiss et al. The Journal of Chemical Physics profile →
  28. Approximate fourth‐order perturbation theory of the electron correlation energy
    1978 1.2k citations R. Krishnan, John A. Pople profile →
  29. Approximate Self-Consistent Molecular-Orbital Theory. V. Intermediate Neglect of Differential Overlap
    1967 1.2k citations John A. Pople et al. The Journal of Chemical Physics profile →
  30. Gaussian-2 theory using reduced Mo/ller–Plesset orders
    1993 1.2k citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  31. Semi-direct algorithms for the MP2 energy and gradient
    1990 1.2k citations John A. Pople et al. profile →
  32. Gaussian-3 theory using reduced Mo/ller-Plesset order
    1999 1.1k citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  33. Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory
    1980 1.1k citations R. Krishnan, John A. Pople et al. The Journal of Chemical Physics profile →
  34. The effect of d-functions on molecular orbital energies for hydrocarbons
    1972 1.0k citations P. C. Hariharan, John A. Pople profile →
  35. Molecular orbital theory of the electronic structure of organic compounds. I. Substituent effects and dipole moments
    1967 920 citations John A. Pople et al. profile →
  36. Electron correlation theories and their application to the study of simple reaction potential surfaces
    1978 908 citations John A. Pople, R. Krishnan et al. profile →
  37. The performance of the Becke—Lee—Yang—Parr (B—LYP) density functional theory with various basis sets
    1992 878 citations John A. Pople et al. profile →
  38. Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap
    1965 876 citations John A. Pople et al. The Journal of Chemical Physics profile →
  39. Møller–Plesset theory for atomic ground state energies
    1975 864 citations J. Stephen Binkley, John A. Pople profile →
  40. 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. profile →
  41. Scaling Factors for Obtaining Fundamental Vibrational Frequencies and Zero‐Point Energies from HF/6–31G* and MP2/6–31G* Harmonic Frequencies
    1993 779 citations John A. Pople, Leo Radom et al. profile →
  42. Self-consistent molecular orbital methods. XV. Extended Gaussian-type basis sets for lithium, beryllium, and boron
    1975 705 citations John A. Pople et al. The Journal of Chemical Physics profile →
  43. Assessment of Gaussian-3 and density functional theories for a larger experimental test set
    2000 637 citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  44. 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 →
  45. Gaussian-1 theory of molecular energies for second-row compounds
    1990 606 citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  46. Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory
    1977 603 citations Rolf Seeger, John A. Pople The Journal of Chemical Physics profile →
  47. Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis sets
    1976 522 citations J. Stephen Binkley, John A. Pople et al. The Journal of Chemical Physics profile →
  48. Assessment of Gaussian-2 and density functional theories for the computation of ionization potentials and electron affinities
    1998 494 citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  49. Theoretical models incorporating electron correlation
    2009 492 citations John A. Pople, J. Stephen Binkley et al. profile →
  50. Molecular orbital theory of nuclear spin coupling constants
    1964 463 citations John A. Pople et al. profile →
  51. Size-consistent Brueckner theory limited to double substitutions
    1989 460 citations John A. Pople et al. profile →
  52. Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree–Fock basis sets
    2001 459 citations Larry A. Curtiss, John A. Pople et al. The Journal of Chemical Physics profile →
  53. Proton Magnetic Resonance of Hydrocarbons
    1956 456 citations John A. Pople The Journal of Chemical Physics profile →
  54. Theory of Carbon NMR Chemical Shifts in Conjugated Molecules
    1963 440 citations John A. Pople et al. The Journal of Chemical Physics profile →
  55. Kohn—Sham density-functional theory within a finite basis set
    1992 424 citations John A. Pople et al. profile →
  56. Stabilization of planar tetracoordinate carbon
    1976 418 citations Rolf Seeger, John A. Pople et al. profile →
  57. A standard grid for density functional calculations
    1993 413 citations John A. Pople et al. profile →
  58. 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 Warren J. Hehre, Larry A. Curtiss et al. profile →
  59. The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules
    1953 372 citations A. C. Hurley, John Edward Lennard-Jones et al. Proceedings of the Royal Society of London A Mathematical and Physical Sciences profile →
  60. 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. profile →
  61. A method for two-electron Gaussian integral and integral derivative evaluation using recurrence relations
    1988 352 citations John A. Pople et al. The Journal of Chemical Physics profile →
  62. Molecular orbital theory of the electronic structure of organic compounds. VIII. Geometries, energies, and polarities of C3 hydrocarbons
    1971 344 citations Leo Radom, Warren J. Hehre et al. profile →
  63. Theory of Molecular Interactions. I. Molecular Orbital Studies of Water Polymers Using a Minimal Slater-Type Basis
    1970 336 citations John A. Pople et al. The Journal of Chemical Physics profile →
  64. Molecular-Orbital Theory of Diamagnetism. I. An Approximate LCAO Scheme
    1962 333 citations John A. Pople The Journal of Chemical Physics profile →
  65. Theoretical study of blocked glycine and alanine peptide analogs
    1991 314 citations John A. Pople et al. profile →
  66. A density functional study of the simplest hydrogen abstraction reaction. Effect of self-interaction correction
    1994 310 citations John A. Pople et al. profile →
  67. Molecular orbital theory of the electronic structure of organic molecules. 40. Structures and energies of C1-C3 carbocations including effects of electron correlation
    1981 303 citations John A. Pople et al. profile →
  68. The Electronic Spectra of Aromatic Molecules IV: Excited States of Odd Alternant Hydrocarbon Radicals and Ions
    1955 292 citations John A. Pople et al. profile →
  69. 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. profile →
  70. Molecular orbital theory of the electronic structure of organic compounds. II. Spin densities in paramagnetic species
    1968 283 citations John A. Pople et al. profile →
  71. Nuclear Spin Coupling Between Geminal Hydrogen Atoms
    1965 282 citations John A. Pople et al. The Journal of Chemical Physics profile →
  72. Fifth order Moeller-Plesset perturbation theory: comparison of existing correlation methods and implementation of new methods correct to fifth order
    1990 279 citations John A. Pople et al. profile →
  73. 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. profile →
  74. Restricted Møller—Plesset theory for open-shell molecules
    1991 249 citations John A. Pople et al. profile →
  75. Theoretical thermochemistry. 1. Heats of formation of neutral AHn molecules (A = Li to Cl)
    1985 236 citations John A. Pople, J. Stephen Binkley et al. profile →
  76. Derivative studies in configuration–interaction theory
    1980 226 citations R. Krishnan, John A. Pople et al. The Journal of Chemical Physics profile →
  77. Molecular orbital theory of the electronic structure of organic compounds. IV. Internal rotation in hydrocarbons using a minimal Slater-type basis
    1970 223 citations Leo Radom, John A. Pople profile →
  78. Molecular orbital theory of the electronic structure of organic compounds. VI. Geometries and energies of small hydrocarbons
    1971 217 citations John A. Pople, Warren J. Hehre et al. profile →
  79. Molecular orbital theory of the electronic structure of organic compounds. XVII. Internal rotation in 1,2-disubstituted ethanes
    1973 214 citations Leo Radom, Warren J. Hehre et al. profile →
  80. Transition structures for the interchange of hydrogen atoms within the water dimer
    1990 209 citations John A. Pople, Leo Radom et al. The Journal of Chemical Physics profile →
  81. Self-Consistent Molecular Orbital Methods. V. Ab Initio Calculation of Equilibrium Geometries and Quadratic Force Constants
    1970 189 citations Warren J. Hehre, John A. Pople et al. The Journal of Chemical Physics profile →

Peers

John A. Pople
Comparison fields: 5 of 197
  • Atomic and Molecular Physics, and Optics 76.4k
  • Organic Chemistry 61.1k
  • Materials Chemistry 42.0k
  • Spectroscopy 37.6k
  • Physical and Theoretical Chemistry 34.7k
Replace Donald G. Truhlar with:
Donald G. Truhlar United States
Robert G. Parr United States
Axel D. Becke Canada
Weitao Yang United States
Chengteh Lee United States
Stefan Grimme Germany
Reinhart Ahlrichs Germany
Michael J. Frisch United States
Vincenzo Barone Italy
Thom H. Dunning United States
Donald G. Truhlar United States View profile →
Citations per field, relative to John A. Pople
John A. Pople · 1×
Citations per year, relative to John A. Pople
John A. Pople · 1×

Countries citing papers authored by John A. Pople

Since Specialization
Citations

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

Fields of papers citing papers by John A. Pople

Since Specialization
Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by John A. Pople. 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 John A. Pople. The network helps show where John A. Pople may publish in the future.

Co-authorship network of co-authors of John A. Pople

This figure shows the co-authorship network connecting the top 25 collaborators of John A. Pople. A scholar is included among the top collaborators of John A. Pople 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 John A. Pople. John A. Pople 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
# Work Indexed citations
1
Age-related transparent root dentin: mineral concentration, crystallite size, and mechanical properties
2004 ·Biomaterials ·J.H. Kinney, R.K. Nalla, John A. Pople, T.M. Breunig, Robert O. Ritchie
193
2
Collagen Orientation and Crystallite Size in Human Dentin: A Small Angle X-ray Scattering Study
2001 ·Calcified Tissue International ·J.H. Kinney, John A. Pople, Grayson W. Marshall, S.J. Marshall
110
3
Theoretical study of the organosulfur systems CSHn (n=0–4) and CSHn+ (n=0–5): Dissociation energies, ionization energies, and enthalpies of formationa)
1992 ·The Journal of Chemical Physics ·Larry A. Curtiss, Ross H. Nobes, John A. Pople, Leo Radom
75
4
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions breakdown →
1980 ·The Journal of Chemical Physics ·R. Krishnan, J. Stephen Binkley, Rolf Seeger, John A. Pople
15338
5
Self-consistent molecular orbital methods. XVIII. Constraints and stability in Hartree–Fock theory breakdown →
1977 ·The Journal of Chemical Physics ·Rolf Seeger, John A. Pople
603
6
The influence of polarization functions on molecular orbital hydrogenation energies breakdown →
1973 ·Theoretical Chemistry Accounts ·P. C. Hariharan, John A. Pople
14128
7
Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules breakdown →
1971 ·The Journal of Chemical Physics ·R. Ditchfield, Warren J. Hehre, John A. Pople
9175
8
A general valence force field for diamond
1962 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·Michael Musgrave, John A. Pople
181
9
The theory of chemical shifts in nuclear magnetic resonance II. Interpretation of proton shifts
1957 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John A. Pople
68
10
The theory of chemical shifts in nuclear magnetic resonance I. Induced current densities
1957 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John A. Pople
129
11
The proton magnetic resonance spectra of conjugated aromatic hydrocarbons
1956 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·H. J. Bernstein, W. G. Schneider, John A. Pople
78
12
Molecular orbital perturbation theory II. Charge displacement and stabilization in conjugated molecules
1955 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John A. Pople
18
13
Molecular orbital perturbation theory II. Charge displacement and stabilization in conjugated molecules
1955 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John A. Pople, P M Schofield
11
14
The statistical mechanics of assemblies of axially symmetric molecules - I. General theory
1954 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John A. Pople
140
15
The statistical mechanics of assemblies of axially symmetric molecules - II. Second virial coefficients
1954 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John A. Pople
93
16
The molecular orbital theory of chemical valency XVI. A theory of paired-electrons in polyatomic molecules breakdown →
1953 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·A. C. Hurley, John Edward Lennard-Jones, John A. Pople
372
17
Molecular association in liquids. III. A theory of cohesion of polar liquids
1952 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John A. Pople
22
18
Molecular association in liquids II. A theory of the structure of water
1951 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John A. Pople
279
19
The molecular orbital theory of chemical valency IX. The interaction of paired electrons in chemical bonds
1951 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John Edward Lennard-Jones, John A. Pople
59
20
Molecular association in liquids I. Molecular association due to lone-pair electrons
1951 ·Proceedings of the Royal Society of London A Mathematical and Physical Sciences ·John Edward Lennard-Jones, John A. Pople
74

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.

Explore authors with similar magnitude of impact

Breakdown of academic impact, for papers by Donald G. Truhlar Breakdown of academic impact, for papers by Robert G. Parr Breakdown of academic impact, for papers by Axel D. Becke Breakdown of academic impact, for papers by Weitao Yang Breakdown of academic impact, for papers by Chengteh Lee Breakdown of academic impact, for papers by Stefan Grimme Breakdown of academic impact, for papers by Reinhart Ahlrichs Breakdown of academic impact, for papers by Michael J. Frisch Breakdown of academic impact, for papers by Vincenzo Barone Breakdown of academic impact, for papers by Thom H. Dunning
Rankless by CCL
2026