https://www.selleckchem.com/products/LBH-589.html
The molecular structure model of lignite was constructed, and the dissociation and removal mechanism of different C-O bonds and oxygen-containing functional groups was investigated using density functional theory (DFT) calculations. First, the bond order and bond dissociation enthalpy (BDE) were analyzed to predict the strength of different chemical bonds, and differences in the BDE and bond order were related to the difference in the fragment structure and electronic effects. The first group to break during hydrothermal carbonization (
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