Theoretical studies on radicals

This thesis is concerned with the calculation of spin density distributions in molecular systems with an unpaired electron. The methods employed are briefly discussed, and the Unrestricted Hartree Fock method with annihilation is adopted as the principle tool for the investigation carried out. The e...

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Bibliographic Details
Main Author: McWilliams, D.
Published: University of Leicester 1969
Subjects:
540
Online Access:https://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.737111