Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions

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Authors: Cheng-chau Chiu, Georgi N. Vayssilov, Alexander Genest, Armando Borgna, Notker Rösch

Journal title: Journal of Computational Chemistry

Journal number: 35/10

Journal publisher: John Wiley & Sons Inc.

Published year: 2014

Published pages: 809-819

DOI identifier: 10.1002/jcc.23558

ISSN: 0192-8651