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Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions.
Cheng-chau Chiu
Georgi N. Vayssilov
Alexander Genest
Armando Borgna
Notker Rösch
Published in:
J. Comput. Chem. (2014)
Keyphrases
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