Efficient reaction space exploration with ChemTraYzer-TAD L Krep, IS Roy, W Kopp, F Schmalz, C Huang, K Leonhard Journal of Chemical Information and Modeling 62 (4), 890-902, 2022 | 22 | 2022 |
Solving the riddle of the high-temperature chemistry of 1, 3-dioxolane A Wildenberg, M Döntgen, IS Roy, C Huang, B Lefort, L Le Moyne, ... Proceedings of the Combustion Institute 39 (1), 705-713, 2023 | 12 | 2023 |
Effect of methyl substituents, ring size, and oxygen on bond dissociation energies and ring-opening kinetics of five-and six-membered cyclic acetals C Huang, Y Zhao, IS Roy, L Cai, H Pitsch, K Leonhard Combustion and Flame 242, 112211, 2022 | 11 | 2022 |
Pathway exploration in low-temperature oxidation of a new-generation bio-hybrid fuel 1, 3-dioxane C Huang, Y Zhao, IS Roy, B Chen, N Hansen, H Pitsch, K Leonhard Proceedings of the Combustion Institute 39 (1), 385-393, 2023 | 7 | 2023 |
Influence of oxygen atoms and ring strain on the low-temperature oxidation pathways of 1, 3-dioxolane IS Roy, M Döntgen, C Huang, W Kopp, K Leonhard The Journal of Physical Chemistry A 127 (13), 2992-2999, 2023 | 3 | 2023 |