John Anthony Pople, PhD
Affiliations: | 1951-1958 | University of Cambridge, Cambridge, England, United Kingdom | |
1964-1993 | Chemistry | Carnegie Mellon University, Pittsburgh, PA | |
1993- | Chemistry | Northwestern University, Evanston, IL |
Area:
statistical mechanics of waterWebsite:
https://www.nobelprize.org/prizes/chemistry/1998/pople/biographical/Google:
"John Pople"Bio:
(1925 - 2004)
http://www.nasonline.org/member-directory/deceased-members/45942.html
DOI: 10.1098/rsbm.2006.0021
https://history.aip.org/phn/11807011.html
Sir John Anthony Pople, KBE, FRS
The Nobel Prize in Chemistry 1998 was divided equally between Walter Kohn "for his development of the density-functional theory" and John A. Pople "for his development of computational methods in quantum chemistry".
Mean distance: 7.43 | S | N | B | C | P |
Children
Sign in to add traineeA. David Buckingham | grad student | Cambridge | |
Michael J. Frisch | grad student | ||
Warren Hehre | grad student | Cambridge | |
Mark S. Gordon | grad student | 1968 | Carnegie Mellon |
Larry Curtiss | grad student | 1969-1973 | Carnegie Mellon |
Eluvathingal Devassay Jemmis | grad student | 1974-1978 | Carnegie Mellon |
Krishnan Raghavachari | grad student | 1981 | Carnegie Mellon |
Martin Head-Gordon | grad student | 1989 | Carnegie Mellon |
Raymond John Abraham | post-doc | 1959-1961 | National Physics Laboratory (UK) |
David L. Beveridge | post-doc | 1966-1968 | Carnegie Mellon |
Robert Ditchfield | post-doc | 1970 | Mellon Institute |
Leo Radom | post-doc | 1969-1972 | Carnegie Mellon |
Dieter Cremer | post-doc | 1972-1974 | Carnegie Mellon |
Otilia Mó | post-doc | 1976 | |
Manuel Yanez | post-doc | 1976 | |
H. Bernhard Schlegel | post-doc | 1977 | Carnegie Mellon |
Peter M.W. Gill | research scientist | 1988-1992 | Carnegie Mellon |
Collaborators
Sign in to add collaboratorLeo Radom | collaborator | Carnegie Mellon | ||
Paul von Ragué Schleyer | collaborator | Carnegie Mellon | ||
William G. Schneider | collaborator | 1956-1957 | National Research Council, Canada | |
(theoretical background of NMR; co-authored Pople, Schneider, and Bernstein's "High Resolution Nuclear Magnetic Resonance" (mcgraw-Hill, 1959)) |
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Publications
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Raghavachari K, Trucks GW, Pople JA, et al. (2013) Reprint of: A fifth-order perturbation comparison of electron correlation theories Chemical Physics Letters. 589: 37-40 |
Pople JA. (2010) Structural studies using molecular orbital theory Bulletin Des SociéTéS Chimiques Belges. 85: 347-361 |
Pople JA, Frisch MJ, Luke BT, et al. (2009) A moller-plesset study of the energies of AHn molecules (A = Li to F) International Journal of Quantum Chemistry. 24: 307-320 |
Pople JA, Schlegel HB, Krishnan R, et al. (2009) Molecular orbital studies of vibrational frequencies International Journal of Quantum Chemistry. 20: 269-278 |
Pople JA, Beveridge DL, Ostlund NS. (2009) Recent progress in approximate self-consistent-field theory International Journal of Quantum Chemistry. 1: 293-305 |
Gomez ED, Das J, Chakraborty AK, et al. (2006) Effect of cross-linking on the structure and thermodynamics of lamellar block copolymers Macromolecules. 39: 4848-4859 |
Curtiss LA, Redfern PC, Raghavachari K, et al. (2002) Gaussian-3X (G3X) theory using coupled cluster and Brueckner energies Chemical Physics Letters. 359: 390-396 |
Curtiss LA, Redfern PC, Raghavachari K, et al. (2001) Gaussian-3X (G3X) theory: Use of improved geometries, zero-point energies, and Hartree-Fock basis sets Journal of Chemical Physics. 114: 108-117 |
Curtiss LA, Raghavachari K, Redfern PC, et al. (2001) On Comparison of Experimental Thermochemical Data with G3 Theory The Journal of Physical Chemistry A. 105: 227-228 |
Curtiss LA, Raghavachari K, Redfern PC, et al. (2000) Assessment of Gaussian-3 and density functional theories for a larger experimental test set The Journal of Chemical Physics. 112: 7374-7383 |