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Encyclopedia > John Pople

Sir John Anthony Pople, FRS, (October 31, 1925March 15, 2004) was a theoretical chemist. Born in Burnham on Sea, Somerset, England, he attended Bristol Grammar School. He moved to the United States of America in the early 1960s, where he lived the rest of his life, though he retained British citizenship. He received his B. A. (in 1946) and doctorate (in 1951) degrees in mathematics, from Cambridge University in the United Kingdom. His thesis was, however, on a topic that would generally be considered chemistry: the bonding structures of water. Pople considered himself more of a mathematician than a chemist, but theoretical chemists consider him one of the most important of their number. The premises of the Royal Society in London (first four properties only). ... October 31 is the 304th day of the year (305th in leap years) in the Gregorian Calendar, with 61 days remaining. ... 1925 (MCMXXV) was a common year starting on Thursday (link will take you to calendar). ... March 15 is the 74th day of the year in the Gregorian Calendar (75th in Leap years). ... 2004 (MMIV) was a leap year starting on Thursday of the Gregorian calendar. ... Theoretical chemistry is the use of reasoning to explain or predict chemical phenomena. ... The shortest pier in Britain on the sea front at Burnham-on-Sea. ... Somerset is a county in the south-west of England. ... Motto: (French for God and my right) Anthem: God Save the King/Queen Capital London (de facto) Largest city London Official language(s) English (de facto) Unification    - by Athelstan AD 927  Area    - Total 130,395 km² (1st in UK)   50,346 sq mi  Population    - 2006 est. ... Bristol Grammar School is a co-educational public school in Clifton, Bristol, England. ... The 1960s decade refers to the years from January 1, 1960 to December 31, 1969, inclusive. ... Year 1946 (MCMXLVI) was a common year starting on Tuesday. ... 1951 (MCMLI) was a common year starting on Monday; see its calendar. ... It has been suggested that Professional degree be merged into this article or section. ... Euclid, Greek mathematician, 3rd century BC, known today as the father of geometry; shown here in a detail of The School of Athens by Raphael. ... The University of Cambridge, located in Cambridge, England, is the second-oldest university in the English-speaking world, with a reputation as one of the worlds most prestigious universities. ... Chemistry (from Greek χημεία khemeia[1] meaning alchemy) is the science of matter at the atomic to molecular scale, dealing primarily with collections of atoms, such as gases, molecules, crystals, and metals. ... Impact of a drop of water. ...


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 orbitals or Gaussian orbitals 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, including coauthorship of the first version, Gaussian 70.[1] In chemistry, a molecular orbital is a region in which an electron may be found in a molecule. ... Geometry of the water molecule Molecules have fixed equilibrium geometries--bond lengths and angles--that are dictated by the laws of quantum mechanics. ... 1953 (MCMLIII) was a common year starting on Thursday. ... Rudolph Pariser (born December 8, 1923) is a physical chemist and polymer chemist. ... Robert Ghormley Parr (born September 22, 1921) is a theoretical chemist. ... In molecular physics, the Pariser-Parr-Pople method applies semi-empirical quantum mechanical methods to the quantitative prediction of electronic structures and spectra, in molecules of interest in the field of organic chemistry. ... CNDO is the abbreviation for Complete Neglect of Differential Overlap. ... 1965 (MCMLXV) was a common year starting on Friday (the link is to a full 1965 calendar). ... Indo may refer to the following ethnic identifications: - Indo (eurasian) , Indo-European or Eurasian is a term used to describe people of mixed European and Indonesian ancestry, in particular, people of Dutch and Indonesian ancestry. ... Computational chemistry is a branch of chemistry that uses the results of theoretical chemistry incorporated into efficient computer programs to calculate the structures and properties of molecules and solids, applying these programs to real chemical problems. ... The current version of the article or section reads like an advertisement. ... In modern computational chemistry, quantum chemical calculations are typically performed within a finite set of basis functions. ... Slater-type orbitals are functions used as atomic orbitals in the linear combination of atomic orbitals molecular orbital method. ... In molecular physics, Gaussian orbitals are a mathematical technique used for the computation of electron orbitals in molecules. ... Generally, the word gaussian pertains to Carl Friedrich Gauss and his ideas. ...


In 1986 he moved from Carnegie Mellon University in Pittsburgh, Pennsylvania, where his earlier accomplishments were made, to Northwestern University in Evanston, Illinois. 1986 (MCMLXXXVI) was a common year starting on Wednesday of the Gregorian calendar. ... Carnegie Mellon University is a private research university located in Pittsburgh, Pennsylvania. ... Nickname: Steel City, Iron City, City of Champions, City of Bridges, City of Colleges, P-Burgh, The Burgh Motto: Benigno Numine Location in Allegheny County, Pennsylvania Coordinates: Country United States State Pennsylvania County Allegheny County Founded 1758 Mayor Luke Ravenstahl (D) Area    - City 151. ... It has been suggested that Freshman urban program be merged into this article or section. ... Incorporated City in 1872. ...


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. This is a list of Nobel Prize laureates in Chemistry from 1901 to 2006. ... 1998 (MCMXCVIII) was a common year starting on Thursday of the Gregorian calendar, and was designated the International Year of the Ocean. ... The premises of the Royal Society in London (first four properties only). ... 2003 (MMIII) was a common year starting on Wednesday of the Gregorian calendar. ...


Trivia

This article does not cite its references or sources. ... Bristol Grammar School is a co-educational public school in Clifton, Bristol, England. ...

External links

  • Pople's homepage in Northwestern University
  • Official homepage of the Nobel Prize in Chemistry in 1998
  • Pople's early photo (1950's)
  • Pariser-Parr-Pople
  • Pople's homepage at Q-Chem Inc.
  • Obituary by The Guardian

  Results from FactBites:
 
John Pople (291 words)
John Anthony Pople (born October 31, 1925) is a theoretical chemist.
Pople to this day considers himself more of a mathematician than a chemist, but theoretical chemists consider him one of the most important of their number.
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[?] (PPP) method.
Guardian | Sir John Pople (828 words)
Pople was rewarded specifically for developing a computer program called Gaussian, which made possible the theoretical study of molecules, their properties and how they linked together in chemical reactions.
Pople took a job with the Bristol Aeroplane Company, but was determined to use his mathematical skills in some branch of science, and kept looking for a way to return to Cambridge.
Pople's next 10 years were spent as a research fellow at Trinity College, and then as a lecturer in the mathematics faculty.
  More results at FactBites »

 
 

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