@article{rey:hal-01701465, TITLE = {{Ab Initio Simulation of the Acid Sites at the External Surface of Zeolite Beta}}, AUTHOR = {Rey, Jer{\^o}me and Raybaud, Pascal and Chizallet, C{\'e}line}, URL = {https://ifp.hal.science/hal-01701465}, JOURNAL = {{ChemCatChem}}, PUBLISHER = {{Wiley}}, VOLUME = {9}, NUMBER = {12}, PAGES = {2176 - 2185}, YEAR = {2017}, MONTH = Jun, DOI = {10.1002/cctc.201700080}, KEYWORDS = { acidity ; aluminum ; density functional calculations ; surface chemistry ; zeolites}, HAL_ID = {hal-01701465}, HAL_VERSION = {v1}, }