Accurate mechanistic studies of large catalytic systems : accessing high-level ab initio methods
Accurate studies of catalytic reaction mechanisms require high-level methods such as coupled-cluster theory. Approximations must be made to incorporate this level of theory, either for benchmarking of lower-level methods such as density functional theory, or for the direct application of high-level...
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University of Bristol
2016
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| Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.702176 |