SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces-Reference-Cited by-同舟云学术

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SBH17: Benchmark Database of Barrier Heights for Dissociative Chemisorption on Transition Metal Surfaces

Published:2022-12-19 Issue:1 Volume:19 Page:245-270
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Tchakoua T.¹^ORCID,Gerrits N.¹²^ORCID,Smeets E. W. F.¹³^ORCID,Kroes G.-J.¹^ORCID

Affiliation:

1. Leiden Institute of Chemistry, Gorlaeus Laboratories, Leiden University, P.O. Box 9502, 2300 RALeiden, The Netherlands

2. PLASMANT, Department of Chemistry, University of Antwerp, BE-2610Antwerp, Belgium

3. ALTEN Nederland, Technology, Fascinatio Boulevard 582, 2909 VACapelle a/d IJssel, The Netherlands

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00824

Reference204 articles.

1. Synthesizing our future

2. Primary steps in catalytic synthesis of ammonia

3. Concepts of Modern Catalysis and Kinetics

4. Degree of rate control approach to computational catalyst screening

5. First-principles kinetic modeling in heterogeneous catalysis: an industrial perspective on best-practice, gaps and needs

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3. Improving Molecule–Metal Surface Reaction Networks Using the Meta-Generalized Gradient Approximation: CO₂ Hydrogenation;The Journal of Physical Chemistry C;2024-05-17

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