Approaches to ab-initio GIPAW-DFT calculations of NMR parameters in disordered materials
The use of ab initio Density Functional Theory (DFT) to calculate key Nuclear Magnetic Resonance (NMR) parameters has been shown to be very successful in a variety of cases. These calculations allow one to extract meaningful data from NMR measurements by providing a foundation for spectral peak assi...
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University of Warwick
2015
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.685179 |