Predicting transition state and activation energies in n-hexane cracking over zeolites: Combined DFT calculations and estimations with the SISSO method

Autor: Maihom, Thana, Sittiwong, Jarinya, Probst, Michael, Boekfa, Bundet, Wattanakit, Chularat, Limtrakul, Jumras
Zdroj: In Journal of Catalysis September 2024 437
Databáze: ScienceDirect