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Dr. Michael E. Harding and Prof. Dr. Wim Klopper Benchmarking the Lithium–Thiophene Complex ChemPhysChem 14

Version of Record online: 6 DEC 2012 | DOI: 10.1002/cphc.201200834

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Now you know: Benchmark values for the equilibrium geometry and the binding energy of the lithium–thiophene complex (see picture) are computed using explicitly correlated coupled-cluster theory with singles and doubles, extended by triple and quadruple excitations.

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