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Published in 2019 at "Molecular Physics"
DOI: 10.1080/00268976.2018.1510145
Abstract: ABSTRACT A direct dynamic study on the reactions of CH3O2β+βCH2O was carried out over the temperature range of 300β1500βK. All stationary points were calculated with the M06-2X/6-311++G(d,p) level of theory and identified for local minimum.…
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Keywords:
ch2o;
study;
reaction;
dominant channel ... See more keywords