Importance learning estimator for the site-averaged turnover frequency of a disordered solid catalyst-Reference-Cited by-同舟云学术

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Importance learning estimator for the site-averaged turnover frequency of a disordered solid catalyst

Published:2020-12-28 Issue:24 Volume:153 Page:244120
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Vandervelden Craig A.¹^ORCID,Khan Salman A.¹^ORCID,Peters Baron²³^ORCID

Affiliation:

1. Department of Chemical Engineering, University of California, Santa Barbara, Santa Barbara, California 93106, USA

2. Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

3. Department of Chemistry, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA

Funder

National Science Foundation

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/5.0037450

Reference74 articles.

1. Catalysis in Petrochemical Processes

2. P. Pollak, Fine Chemicals: The Industry and the Business, 2nd ed. (Wiley, Boboken, NJ, 2011), p. 280.

3. The nature of the active site in heterogeneous metal catalysis

4. Mechanistic Understanding and the Rational Design of Sinter-Resistant Heterogeneous Catalysts

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2. Enabling automated high-throughput Density Functional Theory studies of amorphous material surface reactions;Computational Materials Science;2023-06

3. Site-Averaged Ab Initio Kinetics: Importance Learning for Multistep Reactions on Amorphous Supports;Journal of Chemical Theory and Computation;2023-04-24

4. Simple Model and Spectral Analysis for a Fluxional Catalyst: Intermediate Abundances, Pathway Fluxes, Rates, and Transients;ACS CATAL;2022

5. Simple Model and Spectral Analysis for a Fluxional Catalyst: Intermediate Abundances, Pathway Fluxes, Rates, and Transients;ACS Catalysis;2022-06-21

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