Open AccessAccurate Adsorption Thermodynamics of Small Alkanes in Zeolites. Ab initio Theory and Experiment for H-Chabazite
Author(s) -
GiovanniMaria Piccini,
Maristella Alessio,
Joachim Sauer,
Yuee Zhi,
Yuanshuai Liu,
Robin Kolvenbach,
Andreas Jentys,
Johannes A. Lercher
Publication year - 2015
Publication title -
journal of physical chemistry. c./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.5b01739
Subject(s) - chabazite , chemistry , thermodynamics , gibbs free energy , ab initio , enthalpy , anharmonicity , adsorption , computational chemistry , physics , organic chemistry , quantum mechanics , zeolite , catalysis