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• W2005334591 abstract "Ab initio calculations at the MP2 and QCISD levels of theory using Pople's 6-31G(d,p) and Dunning's aug-cc-pVDZ basis sets were carried out to explore the potential energy surfaces corresponding to the C2H2⋯SO2 complex. A Cs stacked structure was found to be the most stable one in agreement with microwave experiments. The structural information on other dimers and trimers located may be useful to fit a number of unassigned transitions. The lack of tunneling splittings in the microwave spectrum is explained in terms of the high barrier computed for the internal rotation of the C2H2 subunit." @default.
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• W2005334591 date "2001-06-01" @default.
• W2005334591 modified "2023-09-26" @default.
• W2005334591 title "Acetylene⋯sulfur dioxide van der Waals complexes: a theoretical study" @default.
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• W2005334591 doi "https://doi.org/10.1016/s0009-2614(01)00506-1" @default.
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