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The vinylidene-acetylene rearrangement was investigated by density-functional theory, including pure and hybrid methods, with cc-pVDZ, cc-pVTZ, and aug-cc-pVTZ basis sets. Several combinations of exchange and correlation functionals were used. All functionals yield geometries which compare well with the high-level ab initio results. Some combinations provide unphysical data. The BLYP, B3P86, B3PW91,...
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