@article{schweitzer:hal-03602099, TITLE = {{Multiscale Modeling as a Tool for the Prediction of Catalytic Performances : The Case of n-Heptane Hydroconversion in a Large-Pore Zeolite}}, AUTHOR = {Schweitzer, Jean-Marc and Rey, J{\'e}r{\^o}me and Bignaud, Charles and Bu{\v c}ko, Tom{\'a}{\v s} and Raybaud, Pascal and Moscovici-Mirande, Ma{\"i}lys and Portejoie, Fr{\'e}d{\'e}ric and James, Christophe and Bouchy, Christophe and Chizallet, C{\'e}line}, URL = {https://ifp.hal.science/hal-03602099}, JOURNAL = {{ACS Catalysis}}, PUBLISHER = {{American Chemical Society}}, VOLUME = {12}, NUMBER = {2}, PAGES = {1068-1081}, YEAR = {2022}, MONTH = Jan, DOI = {10.1021/acscatal.1c04707}, KEYWORDS = {hydroisomerization ; alkene ; zeolite ; density functional theory ; kinetic modeling ; multiscale modeling}, PDF = {https://ifp.hal.science/hal-03602099/file/Multiscale%20Modeling%20as%20a%20Tool%20for%20the%20Prediction%20of%20Catalytic%20Performances%20%20The%20Case%20of%20n-Heptane%20Hydroconversion%20in%20a%20Large-Pore%20Zeolite.pdf}, HAL_ID = {hal-03602099}, HAL_VERSION = {v1}, }