Predicting adsorption enthalpies on silicalite and HZSM-5: A benchmark study on DFT strategies addressing dispersion interactions
Article first published online: 18 FEB 2014
Copyright © 2014 Wiley Periodicals, Inc.
Journal of Computational Chemistry
Volume 35, Issue 10, pages 809–819, 15 April 2014
How to Cite
How to cite this article: J. Comput. Chem. 2014, 35, 809–819. DOI: 10.1002/jcc.23558, , , , .
- Issue published online: 10 MAR 2014
- Article first published online: 18 FEB 2014
- Manuscript Accepted: 9 JAN 2014
- Manuscript Revised: 7 DEC 2013
- Manuscript Received: 24 SEP 2013
- Leibniz Rechenzentrum München and the A*STAR Computational Resource Centre
- International Graduate School of Science and Engineering at Technische Universität München and the A*STAR Graduate Academy
- FP7 project Beyond Everest
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|jcc23558-sup-0002-suppinfo2.pdf||2551K||Supporting Information 2.|
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