Open AccessToward the Mechanism of o-Xylene Isomerization in Selected Zeolites of Different Si/Al Ratios and Channel Sizes—Experiment Corroborated by Periodic DFT + D Simulations
Author(s) -
Gabriela Jajko,
Karolina A. Tarach,
Kinga GóraMarek,
Paweł Kozyra,
Witold Piskorz
Publication year - 2021
Publication title -
the journal of physical chemistry c
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.401
H-Index - 289
eISSN - 1932-7455
pISSN - 1932-7447
DOI - 10.1021/acs.jpcc.1c01307
Subject(s) - isomerization , chemistry , hydrocarbon , zeolite , ring (chemistry) , adsorption , computational chemistry , mndo , catalysis , molecule , organic chemistry
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