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
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)|
|Degree Grantor:||California Institute of Technology|
|Division:||Chemistry and Chemical Engineering|
|Thesis Availability:||Public (worldwide access)|
|Defense Date:||20 August 1969|
|Default Usage Policy:||No commercial reproduction, distribution, display or performance rights in this work are provided.|
|Deposited By:||Tony Diaz|
|Deposited On:||14 Jul 2010 18:28|
|Last Modified:||26 Dec 2012 03:25|
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