Ab Initio and Kinetic Modelling of β-D-xylopyranose under Fast Pyrolysis Conditions

Description

Zip file containing all the IRC connecting transition states to minima in our paper published in The Journal of Physical Chemistry A, https://doi.org/10.1021/acs.jpca.3c07063

Resources

Name Format Description Link
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-10230818
0 http://data.europa.eu/88u/dataset/oai-zenodo-org-10230818

Tags

  • lignocellulose
  • pyrolysis
  • kinetics
  • quantum-chemistry
  • modelling

Topics

Categories