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The construction of interlocked topologies by metal‐cation‐template methods has been extensively explored. However, construction of these species using template‐free chemical self‐assembly methods is hard to rationally achieve due to the inherent unpredictability of self‐assembly processes. In this work, a strategy to construct interlocked [2]catenanes by coordination‐driven template‐free self‐assembly...
Several 1‐benzyl‐1,4‐dihydronicotinamide derivatives, which are important NADH model compounds were studied theoretically in acetonitrile. The performances of various DFT methods including B3LYP, B1B95, B3PW91, MPW1B95, MPWKCIS, and M06 were tested to calculate the redox potentials. The first theoretical protocol to predict the redox potentials of these derivatives is B1B95, whose reliability has...
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