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Theoretical insight into the pyrolytic deformylation of levoglucosenone and isolevoglucosenone
(Elsevier, 2014-04)
A computational study was conducted to gain insight into the pyrolytic deformylations of levoglucose-none and isolevoglucosenone. Present B3LYP/6-31G* and CBS QB3 calculations provide valuable evidence to rule out the ...