CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends
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Title
CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends
Authors
Keywords
Heterogeneous catalysis, Surface reaction kinetics, Kinetic modeling, Ab initio calculations
Journal
CATALYSIS LETTERS
Volume 145, Issue 3, Pages 794-807
Publisher
Springer Nature
Online
2015-02-17
DOI
10.1007/s10562-015-1495-6
References
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- (2012) Felix Studt et al. JOURNAL OF CATALYSIS
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- (2012) Simon Klüpfel et al. JOURNAL OF CHEMICAL PHYSICS
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- (2012) Hangyao Wang et al. MOLECULAR SIMULATION
- Trends in Selective Hydrogen Peroxide Production on Transition Metal Surfaces from First Principles
- (2012) Rees B. Rankin et al. ACS Catalysis
- CatApp: A Web Application for Surface Chemistry and Heterogeneous Catalysis
- (2011) Jens S. Hummelshøj et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides
- (2011) A. Vojvodic et al. JOURNAL OF CHEMICAL PHYSICS
- Universal transition state scaling relations for (de)hydrogenation over transition metals
- (2011) S. Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Density functional theory in surface chemistry and catalysis
- (2011) J. K. Norskov et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Mechanism of Methanol Synthesis on Cu through CO2and CO Hydrogenation
- (2011) L. C. Grabow et al. ACS Catalysis
- Universal Brønsted-Evans-Polanyi Relations for C–C, C–O, C–N, N–O, N–N, and O–O Dissociation Reactions
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- (2010) Andrew A. Peterson et al. Energy & Environmental Science
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- (2009) Carsten Stegelmann et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
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