Energetics of xylose decomposition as determined using quantum mechanics modeling.

@article{Nimlos2006EnergeticsOX,
  title={Energetics of xylose decomposition as determined using quantum mechanics modeling.},
  author={Mark R. Nimlos and Xianghong Qian and Mark Davis and Michael E. Himmel and David K. Johnson},
  journal={The journal of physical chemistry. A},
  year={2006},
  volume={110 42},
  pages={11824-38}
}
The decomposition of xylose has been studied using quantum mechanical calculations supported by NMR data. Proposed mechanisms for the decomposition of xylose have been investigated by obtaining the structures and energies of transition states and products. The intent of this study was to understand the experimentally observed formation of furfural and formic acid that occurs during the decomposition of xylose in mildly hot acidic solutions. A mechanism of furfural formation involving the… CONTINUE READING

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