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Theoretical correlation of the geometry and magnetic hyperfine splittings of the methyl radical

Citation

Frank, Robert (1970) Theoretical correlation of the geometry and magnetic hyperfine splittings of the methyl radical. Master's thesis, California Institute of Technology. http://resolver.caltech.edu/CaltechTHESIS:04302010-075156671

Abstract

Spin densities at carbon and hydrogen are calculated at several out of plane angles of the methyl radical. Comparison with temperature dependent ESR studies indicate that the GF method describes the variation adequately while Hartree-Fock, Unrestricted Hartree-Fock, and Valence-Bond treatments do not.

Item Type:Thesis (Master's thesis)
Subject Keywords:Chemistry
Degree Grantor:California Institute of Technology
Division:Chemistry and Chemical Engineering
Major Option:Chemistry
Thesis Availability:Public (worldwide access)
Research Advisor(s):
  • Goddard, William A., III
Thesis Committee:
  • Unknown, Unknown
Defense Date:20 August 1969
Record Number:CaltechTHESIS:04302010-075156671
Persistent URL:http://resolver.caltech.edu/CaltechTHESIS:04302010-075156671
Default Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:5759
Collection:CaltechTHESIS
Deposited By: Tony Diaz
Deposited On:14 Jul 2010 18:28
Last Modified:26 Dec 2012 03:25

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