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Theoretical chemists
American theoretical chemists
Computational chemists
Indian theoretical chemists
Kendall Houk
Clemens C. J. Roothaan
Ernest R. Davidson
William Andrew Goddard III
Michael J. S. Dewar
Camille Sandorfy
Nicholas C. Handy
Sigrid D. Peyerimhoff
Charlotte Froese Fischer
Nevil Sidgwick
Kenichi Fukui
Walter Kohn
Rudolph A. Marcus
John C. Slater
Ilya Prigogine
Charles Coulson
John Lennard-Jones
Jacobus Henricus van 't Hoff
Robert S. Mulliken
Erich Hückel
William Lipscomb
Roald Hoffmann
Graham Richards
Anthony Stone
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