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Published in 2018 at "Theoretical Chemistry Accounts"
DOI: 10.1007/s00214-018-2312-2
Abstract: The mechanism of the acetaldehyde hydrogenation reaction yielding the ethanol-based (C2H5OH2)+(SbF6)− salt with the assistance of the HSbF6 (HF/SbF5) superacid catalyst was investigated theoretically using ab initio MP2 and CCSD(T) methods and the aug-cc-pVDZ basis…
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Keywords:
ethanol based;
c2h5oh2 sbf6;
based c2h5oh2;
acetaldehyde hydrogenation ... See more keywords