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Stacking of Benzene with Metal Chelates: Calculated CCSD(T)/CBS Interaction Energies and Potential-Energy Curves
(Wiley-V C H Verlag Gmbh, Weinheim, 2014)
Accurate values for the energies of stacking interactions of nickel-and copper-based six-membered chelate rings with benzene are calculated at the CCSD(T)/CBS level. The results show that calculations made at the omega ...
Parallel Water/Aromatic Interactions of Non-Coordinated and Coordinated Water
(Wiley-V C H Verlag Gmbh, Weinheim, 2014)
The parallel interactions of non-coordinated and coordinated water molecules with an aromatic ring were studied by analyzing data in the Cambridge structural database (CSD) and by using quantum chemical calculations. The ...