Abstract
The enthalpies of formation, bond dissociation energies, ionization potentials, and kinetics of reaction with hydrogen atoms and methyl radicals have been systematically calculated for angelica lactone and a number of related furanones. The objective was to provide comprehensive thermodynamic and kinetic data of compounds that are projected to play a role as intermediates in the production of platform chemicals and biofuels.
| Original language | English |
|---|---|
| Pages (from-to) | 4172-4183 |
| Number of pages | 12 |
| Journal | Journal of Physical Chemistry A |
| Volume | 118 |
| Issue number | 23 |
| DOIs | |
| Publication status | Published - 12 Jun 2014 |
| Externally published | Yes |