Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions-Reference-Cited by-同舟云学术

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

Published:2014-02-18 Issue:10 Volume:35 Page:809-819
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J. Comput. Chem.

Author:

Chiu Cheng-chau¹²³,Vayssilov Georgi N.¹⁴,Genest Alexander¹,Borgna Armando³,Rösch Notker¹²

Affiliation:

1. Institute of High Performance Computing, Agency for Science, Technology and Research; 1 Fusionopolis Way, #16-16 Connexis Singapore 138632 Singapore

2. Department Chemie and Catalysis Research Center; Technische Universität München; 85747 Garching Germany

3. Institute of Chemical and Engineering Sciences, Agency for Science, Technology and Research; 1 Pesek Road Jurong Island Singapore 627833 Singapore

4. Faculty of Chemistry and Pharmacy; University of Sofia; Blvd. J. Baucher 1 1126 Sofia Bulgaria

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Reference50 articles.

1. Strong Brønsted Acidity in Alumina-Silicates

2. Oligomerization of olefins from Light Cracking Naphtha over zeolite-based catalyst for the production of high quality diesel fuel

3. Chapter 10 Introduction to zeolite theory and modelling

4. Physisorption and Chemisorption of Hydrocarbons in H-FAU Using QM-Pot(MP2//B3LYP) Calculations

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