D-Index & Metrics Best Publications

D-Index & Metrics D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines.

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 92 Citations 109,635 248 World Ranking 1024 National Ranking 438

Overview

What is he best known for?

The fields of study he is best known for:

  • Organic chemistry
  • Quantum mechanics
  • Molecule

His primary areas of study are Electronic structure, Molecular orbital theory, Molecular orbital, Atomic physics and Molecular physics. Within one scientific family, he focuses on topics pertaining to Ab initio quantum chemistry methods under Electronic structure, and may sometimes address concerns connected to Ab initio, Electron affinity and Gaussian orbital. He combines subjects such as Chemical physics, Electronic correlation and Non-bonding orbital with his study of Molecular orbital theory.

His studies in Molecular orbital integrate themes in fields like Valence, Gaussian, Basis function and Wave function. His Atomic physics research is multidisciplinary, relying on both Ionization energy, Basis set and Electronegativity. His studies deal with areas such as Fragment molecular orbital and Molecule as well as Molecular physics.

His most cited work include:

  • Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions (10491 citations)
  • Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic Molecules (9866 citations)
  • Self‐Consistent Molecular‐Orbital Methods. IX. An Extended Gaussian‐Type Basis for Molecular‐Orbital Studies of Organic Molecules (6477 citations)

What are the main themes of his work throughout his whole career to date?

John A. Pople mainly investigates Molecular orbital theory, Computational chemistry, Electronic structure, Molecule and Ab initio. John A. Pople works mostly in the field of Molecular orbital theory, limiting it down to topics relating to Non-bonding orbital and, in certain cases, Molecular orbital diagram. He interconnects Electronic correlation and Gaussian orbital in the investigation of issues within Computational chemistry.

His Electronic structure study combines topics in areas such as Wave function and Atomic physics. His work in the fields of Ground state overlaps with other areas such as Quantum chemistry composite methods. His research on Ab initio also deals with topics like

  • Molecular orbital, which have a strong connection to Gaussian, Valence and Atomic orbital,
  • Ionization energy which is related to area like Standard enthalpy of formation.

He most often published in these fields:

  • Molecular orbital theory (23.67%)
  • Computational chemistry (22.45%)
  • Electronic structure (20.82%)

What were the highlights of his more recent work (between 1999-2015)?

  • Polymer chemistry (12.24%)
  • Copolymer (11.02%)
  • Scattering (8.98%)

In recent papers he was focusing on the following fields of study:

John A. Pople mainly focuses on Polymer chemistry, Copolymer, Scattering, Small-angle X-ray scattering and Polymer. The concepts of his Copolymer study are interwoven with issues in Chemical physics, Birefringence, Solvent, Neutron scattering and Molecule. His Chemical physics study frequently links to other fields, such as Molecular orbital theory.

His research integrates issues of Crystallography, Transmission electron microscopy, Synchrotron and Block in his study of Scattering. His Large deviations theory research is multidisciplinary, incorporating elements of Electronic structure and Gaussian. John A. Pople combines subjects such as Gaussian process, Atomic physics and Physical chemistry with his study of Electronic structure.

Between 1999 and 2015, his most popular works were:

  • Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements (2216 citations)
  • Assessment of Gaussian-3 and density functional theories for a larger experimental test set (587 citations)
  • Gaussian-3X (G3X) theory : use of improved geometries, zero-point energies, and Hartree-Fock basis sets. (384 citations)

In his most recent research, the most cited papers focused on:

  • Organic chemistry
  • Quantum mechanics
  • Molecule

John A. Pople mostly deals with Polymer chemistry, Polymer, Electronic structure, Copolymer and Gaussian. He interconnects Ionic strength, Aqueous solution, Polymer architecture and Analytical chemistry in the investigation of issues within Polymer chemistry. He has researched Electronic structure in several fields, including Chemical physics, Molecular orbital theory, Density functional theory and Physical chemistry.

His work on Methacrylate as part of his general Copolymer study is frequently connected to Ionic conductivity, thereby bridging the divide between different branches of science. His Gaussian study frequently draws connections to adjacent fields such as Atomic physics. His work deals with themes such as Multiplicative function, Scale, Perturbation theory and Thermochemistry, which intersect with Atomic physics.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

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.
Journal of Chemical Physics (1972)

21208 Citations

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

R. Krishnan;J. S. Binkley;R. Seeger;J. A. Pople.
Journal of Chemical Physics (1980)

18546 Citations

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.
Journal of Chemical Physics (1971)

13895 Citations

Self‐consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets

Michael J. Frisch;John A. Pople;J. Stephen Binkley.
Journal of Chemical Physics (1984)

11338 Citations

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.
Journal of Chemical Physics (1982)

8018 Citations

Quadratic configuration interaction. A general technique for determining electron correlation energies

John A. Pople;Martin Head‐Gordon;Krishnan Raghavachari.
Journal of Chemical Physics (1987)

5062 Citations

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

J. Stephen Binkley;John A. Pople;Warren J. Hehre.
ChemInform (2002)

4318 Citations

Gaussian-2 theory for molecular energies of first- and second-row compounds

Larry A. Curtiss;Krishnan Raghavachari;Gary W. Trucks;John A. Pople.
Journal of Chemical Physics (1991)

4099 Citations

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

Larry A. Curtiss;Krishnan Raghavachari;Paul C. Redfern;Vitaly Rassolov.
Journal of Chemical Physics (1998)

3236 Citations

Toward a systematic molecular orbital theory for excited states

James B. Foresman;Martin Head-Gordon;John A. Pople;Michael J. Frisch.
The Journal of Physical Chemistry (1992)

2690 Citations

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