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Five acetylene–furan dimer structures are identified using ab initio calculations at the second-order Møller–Plesset (MP2) level of theory. The structures are stabilized by two basic types of intermolecular interactions: the CH⋯O and the CH⋯π interaction. The CH⋯π interaction appears in two variants, depending on which molecule provides the hydrogen atom and which molecule the π system. The MP2 results...
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