From computational studies on the mechanism of the formation of organic meterocyclic compounds to spin crossover studies in Prussian Blue
Understanding with the use of computational tools the mechanism of reactions in organic chemistry or the electronic transitions in solid state is a quite challeng- ing problem. The main methods utilised for this research are Density Functional Theory (DFT) and time dependent DFT. The software utilis...
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University of Glasgow
2010
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.513269 |