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

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

doi:10.1002/jcc.23558

Title:: Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions
Author(s):: Chiu, Cheng-chau; Vayssilov, Georgi N.; Genest, Alexander; Borgna, Armando; Rösch, Notker
Journal title:: J. Comput. Chem.
Year:: 2014
Journal volume:: 35
Journal issue:: 10
Pages contribution:: 809-819
Fulltext / DOI:: doi:10.1002/jcc.23558
Publisher:: Wiley-Blackwell
Date of publication:: 15.04.2014
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