Pople Diagram named after John Pople (Nobel Prize winner and theoretical chemist). The diagram shows basis set and quantum chemical methods on vertical and horizontal axis respectively.
A Pople diagram or Pople's Diagram is a diagram which describes the relationship between various calculation methods in computational chemistry. It was initially introduced in January 1965 by Sir John Pople, KBE FRS, during the Symposium of Atomic and Molecular Quantum Theory in Florida.[1] The Pople Diagram can be either 2-dimensional or 3-dimensional, with the axes representing ab initio methods, basis sets and treatment of relativity.[2] The diagram attempts to balance calculations by giving all aspects of a computation equal weight.
^Karplus, Martin (July 1990). "Three-dimensional "Pople diagram"". J. Phys. Chem. 14 (94): 5435–5436. doi:10.1021/j100377a002.
^Dolg, Michael (17 February 2015). Computational Methods in Lanthanide and Actinide Chemistry. John Wiley & Sons, 2015. p. 480. ISBN 9781118688281.
A Poplediagram or Pople'sDiagram is a diagram which describes the relationship between various calculation methods in computational chemistry. It was...
accordance with his wishes, Pople's Nobel Medal was given to Carnegie Mellon University by his family on 5 October 2009. PoplediagramPople notation STO-nG basis...
structure. Oxford: Oxford University Press. ISBN 9780191523403. Bent, Ian D.; Pople, Anthony. "Analysis". Grove Music Online. Oxford Music Online. Oxford University...
Molecular orbital diagrams provide simple qualitative LCAO treatment. The Hückel method, the extended Hückel method and the Pariser–Parr–Pople method, provide...
broadening of the meaning of "prolongation" has been described by Anthony Pople in seven steps: (1) Schenker proposes it as an operational concept in his...
Archived (PDF) from the original on October 9, 2022. Pople, Stephen (2001). Advanced Physics Through Diagrams. Oxford University Press. p. 72. ISBN 0-19-914199-1...
Kohn, "for his development of the density-functional theory", and John Pople, "for his development of computational methods in quantum chemistry", received...
labelled and therefore tracked in replication in bacteria. In 1970, John Pople developed the Gaussian program greatly easing computational chemistry calculations...
von Baeyer Johann Wolfgang Döbereiner Johannes Diderik van der Waals John Pople John Alexander Reina Newlands John C. Polanyi John Cowdery Kendrew John...
Molecular Connectivity. New York: Wiley-VCH. p. 59. ISBN 978-0-471-18707-3. J.A.Pople; W.G.Schneider; H.J.Bernstein (1959). High-resolution Nuclear Magnetic Resonance...
model for many commercial expert system "shells". Jack Myers and Harry Pople at University of Pittsburgh developed INTERNIST, a knowledge-based medical...
could be "programmed" to fill many roles. Starting in September, Ross and Pople outlined a language for machine control that was based on points and lines...
Machine, Harris Interactive. 2007. Retrieved March 20, 2008. Tare Parker-Pople, "Well: Doctor and Patient, Now at Odds," The New York Times, July 29, 2008...
(1996). The Music of Alban Berg, pp.265, 304, & 306. ISBN 9780300064001. Pople, Anthony (1991). Berg: Violin Concerto. pp. 18 & 21. ISBN 0-521-39976-9...
labelled and therefore tracked in replication in bacteria. In 1970, John Pople developed the Gaussian program greatly easing computational chemistry calculations...
a structurally well-defined chiral transition metal complex. 1970 John Pople develops the Gaussian program greatly easing computational chemistry calculations...
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