검색결과 : 2건
| No. | Article |
|---|---|
| 1 |
Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 1. Molecular Dynamics Simulations (Vol 117, pg 11115, 2013) Qi TT, Bauschlicher CW, Lawson JW, Desai TG, Reed EJ, Lenfant A Journal of Physical Chemistry A, 118(28), 5355, 2014 |
| 2 |
Comparison of ReaxFF, DFTB, and DFT for Phenolic Pyrolysis. 2. Elementary Reaction Paths Bauschlicher CW, Qi TT, Reed EJ, Lenfant A, Lawson JW, Desai TG Journal of Physical Chemistry A, 117(44), 11126, 2013 |