Ensemble Effects in Adsorbate-Adsorbate Interactions in Microkinetic Modeling
Journal article, 2023
Author
Elisabeth Dietze
Chalmers, Physics, Chemical Physics
Henrik Grönbeck
Chalmers, Physics, Chemical Physics
Journal of Chemical Theory and Computation
1549-9618 (ISSN) 1549-9626 (eISSN)
Vol. 19 3 1044-1049KCK - Kompetenscentrum Katalys 2022-2026
Umicore Denmark ApS (KCK2022-2026), 2022-01-01 -- 2026-12-31.
Volvo Group (PO:2435702-000), 2022-01-01 -- 2026-12-31.
Johnson Matthey (2500123383), 2022-01-01 -- 2026-12-31.
Scania AB (Dnr:2021-036543Pnr:52689-1), 2022-01-01 -- 2026-12-31.
Adaptive multiscale modeling in heterogeneous catalysis
Swedish Research Council (VR) (2020-05191), 2021-01-01 -- 2024-12-31.
Subject Categories (SSIF 2011)
Physical Chemistry
Chemical Process Engineering
DOI
10.1021/acs.jctc.2c01005
PubMed
36652690