| Title | Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics |
| Publication Type | Journal Article |
| Year of Publication | 2019 |
| Authors | Keceli M, Elliott SN, Li Y-P, Johnson MS, Cavallotti C, Georgievsk, ii Y, Green WH, Pelucchi M, Wozniak JM, Jasper AW, Klippenstein SJ |
| Journal | Proceedings of the Combustion Institute |
| Volume | 37 |
| Pagination | 363 - 371 |
| ISSN | 1540-7489 |
| Keywords | Butane oxidation, Computational thermochemistry, thermochemistry, Workflow |
| URL | http://www.sciencedirect.com/science/article/pii/S1540748918305315 |
| DOI | 10.1016/j.proci.2018.07.113 |
