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"Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark ..."

Cheng-chau Chiu et al. (2014)

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DOI: 10.1002/JCC.23558

access: closed

type: Journal Article

metadata version: 2020-05-30

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Cheng-chau Chiu, Georgi N. Vayssilov, Alexander Genest, Armando Borgna, Notker Rösch:
Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions. J. Comput. Chem. 35(10): 809-819 (2014)

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