POPLE, JOHN A. / الكيمياء / الباحثون

المركز الدولي للبحث العلمي

الباحثون

الكيمياء / POPLE, JOHN A.

poplechem.northwestern.edu

الموضع

Board of Trustees Professor of Chemistry at the Northwestern University

مواضيع البحث

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

الجوائز

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

المنشورات

"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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