Calculation of theoretical NMR chemical shieldings in small molecules
In the following thesis the calculation of the NMR shieldings of the nuclei within a variety of molecules in differing situations is presented. A detailed introduction to modern quantum chemical methodology is initially laid down including descriptions of the Hartree-Fock method as well as electron...
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University of Surrey
2002
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.248028 |