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