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The calculated binding energies of encapsulated DASA-Mel and DASA-Bar are -10.2 and -9.9 kcal/mol, respectively, clearly showing that the former is more stable by 0.3 kcal. Consequently, the organic macrocycle selectively separating one kind of DASA from a mixture by encapsulation in water is reported for the first time with experimental and theoretical support in the literature.Brønsted acid-catalyzed direct C(sp2)-H alkylation of N-heteroaromatics with cyclic ethers via a cross-dehydrogenative coupling reaction in the presence of benz

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