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Published in 2020 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2019.110580
Abstract: Abstract Geometrical structure, stability of complexes of acetone/thioacetone with CO2 and/or H2O are thoroughly studied, and the role of intermolecular interactions are determined at the high level of theory. Obtained results propose that the minima…
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Keywords:
acetone thioacetone;
complexes acetone;
structure stability;