| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383706 | Chemical Physics Letters | 2011 | 6 Pages |
Abstract
⺠Thermodynamic and kinetic parameters are calculated using ab initio molecular orbital methods. ⺠Calculated reaction enthalpy at 0 K is in excellent agreement with its experimental counterpart. ⺠Rate constants are calculated from 250 to 2500 K and compared to the available literature data.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
KatarÃna MeÄiarová, Martin Å ulka, Sébastien Canneaux, Florent Louis, Ivan ÄernuÅ¡ák,