| John Pople |
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His first major contribution was a theory of approximate Molecular Orbital (MO) calculations on Pi Electron systems in 1953 , identical to the one developed by Rudolph Pariser and Robert G. Parr in the same year, and now called the Pariser-Parr-Pople Method . Subsequently, he developed the methods of Complete Neglect of Differential Overlap ( CNDO ) (in 1965 ) and Intermediate Neglect of Differential Overlap ( INDO ) for approximate MO calculations on three-dimensional molecules, and other developments in Computational Chemistry . He pioneered the development of more sophisticated computational methods, so called Ab Initio methods, that used Basis Sets of either Slater Type Orbital s or Gaussian Orbital s to model the wave function. While in the early days these calculations were extremely expensive to perform, the advent of high speed microprocessors has made them much more feasible today. He was instrumental in the development of one of the most widely used computational chemistry packages, the " GAUSSIAN "(tm) suite of programs. However, since 1991 , Pople was not only excluded from development of the software, he was actually Banned By Gaussian from even using their software. In 1986 he moved from Carnegie Mellon University in Pittsburgh, Pennsylvania , where his earlier accomplishments were made, to Northwestern University in Evanston, Illinois . He received the Nobel Prize In Chemistry in 1998 . He was made a fellow of the Royal Society in 1961. He was knighted in 2003 . EXTERNAL LINKS
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