John A. Pople

1. Self-Consistent Molecular-Orbital Methods. IX. An Extended Gaussian-Type Basis for Molecular-Orbital Studies of Organic Molecules
   1971/01/15 by R. Ditchfield, W. J. Hehre, Warren J. Hehre +2 · 82 citations
   Chemistry · #Chemical Thermodynamics and Molecular Structure #Various Chemistry Research Topics #Analytical Chemistry and Chromatography
2. Self-consistent molecular orbital methods. XXIII. A polarization-type basis set for second-row elements
   1982/10/01 by Michelle Francl, Michelle M. Francl, William J. Pietro +5 · 60 citations
   Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Inorganic Fluorides and Related Compounds #Inorganic Chemistry and Materials
3. Derivative studies in hartree-fock and møller-plesset theories
   2009/06/18 by J. A. Pople, John A. Pople, R. Krishnan +4 · 31 citations
   Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Spectroscopy and Quantum Chemical Studies #Molecular Spectroscopy and Structure
4. Kohn—Sham density-functional theory within a finite basis set
   1992/11/01 by John A. Pople, Peter M.W. Gill, Peter M. W. Gill +1 · 21 citations
   Earth and Planetary Sciences · Physics and Astronomy · Chemistry · #High-pressure geophysics and materials #Advanced Chemical Physics Studies #Advanced NMR Techniques and Applications
5. 6‐31G* basis set for third‐row atoms
   2001/04/23 by Vitaly A. Rassolov, Mark A. Ratner, John A. Pople +2 · 7 citations
   Physics and Astronomy · Materials Science · Chemistry · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Ferrocene Chemistry and Applications
6. Accuracy of AHnequilibrium geometries by single determinant molecular orbital theory
   1974/01/01 by P.C. Hariharan, P. C. Hariharan, J.A. Pople +1 · 4 citations
   Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Photochemistry and Electron Transfer Studies #Molecular Spectroscopy and Structure