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.
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
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.
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.
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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)
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)
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)
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)
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)
Quadratic configuration interaction. A general technique for determining electron correlation energies
John A. Pople;Martin Head‐Gordon;Krishnan Raghavachari.
Journal of Chemical Physics (1987)
Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
J. Stephen Binkley;John A. Pople;Warren J. Hehre.
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)
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)
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)
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