On the Accuracy of Density Functional Theory in Zeolite Catalysis-Reference-Cited by-同舟云学术

On the Accuracy of Density Functional Theory in Zeolite Catalysis

Published:2019-07-23 Issue:17 Volume:11 Page:4368-4376
ISSN:1867-3880
Container-title:ChemCatChem
language:en
Short-container-title:ChemCatChem

Author:

Goncalves Tiago J.¹,Plessow Philipp N.¹,Studt Felix¹²

Affiliation:

1. Institute of Catalysis Research and TechnologyKarlsruhe Institute of Technology Hermann-von-Helmholtz Platz 1 76344 Eggenstein-Leopoldshafen Germany

2. Institute for Chemical Technology and Polymer ChemistryKarlsruhe Institute of Technology Engesserstrasse 18 76131 Karlsruhe Germany

Funder

Helmholtz-Gemeinschaft

Publisher

Wiley

Subject

Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Catalysis

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/cctc.201900791

Reference136 articles.

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4. Validation of Density Functionals for Adsorption Energies on Transition Metal Surfaces

5. SBH10: A Benchmark Database of Barrier Heights on Transition Metal Surfaces

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