POPLE, JOHN A. / Chimie / Chercheurs

Centre International de Recherche Scientifique


Chimie / POPLE, JOHN A.



Board of Trustees Professor of Chemistry at the Northwestern University

Thèmes de recherche

his current emphasis is on theoretical studies of the energies and conformations of organic molecules, the structure of intermolecular complexes, and intermolecular force fields.

Prix et récompenses

1998 Nobel Laureate in Chemistry
Marlow Medal, Faraday Society
Langmuir Award
Harrison Howe Award
G. N. Lewis Award
Morley Award
Pauling Award
Award for Computers in Chemistry, American Chemical Society
U.S. Senior Scientist Award, Humboldt Foundation
Wheland Award, University of Chicago
Evans Award, Ohio State University
Oesper Award, University of Cincinnati
Davy Medal, Royal Society, U.K.
Wolf Prize


"The Relativistic Dirac-Coulomb-Fock Effect on Atomization Energies" [with G. S. Kedziora, V. A. Rassolov, M. A. Ratner, P. C. Redfern, and L. A. Curtiss], J. Chem. Phys. 110:7123 (1999).

"Gaussian-3 (G3) Theory for Molecules Containing First- and Second-Row Atoms" [with L. A. Curtiss, K. Raghavachari, P. C. Redfern, and V. A. Rassolov], J. Chem. Phys. 109:7764 (1998).

"6-31G* Basis Set for Atoms K through Zn" [with V. A. Rassolov, M. A. Ratner, and T. L. Windus], J. Chem. Phys. 109:1223 (1998).

"Coulomb-Attenuated Exchange Energy Density Functionals" [with P. M. W. Gill and R. D. Adamson], Mol. Phys. 88:1005 (1996).

"Density Functional Partitions" [with R. D. Adamson and P. M. W. Gill], J. Phys. Chem. 100:6348 (1996).

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