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Trends in catalytic NO decomposition over transition metal surfaces.
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- Topics in Catalysis, 2007, v. 45, n. 1-4, p. 117, doi. 10.1007/s11244-007-0250-7
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- Article
Discovery of technical methanation catalysts based on computational screening.
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- Topics in Catalysis, 2007, v. 45, n. 1-4, p. 9, doi. 10.1007/s11244-007-0232-9
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- Article
Insights into the reactivity of supported Au nanoparticles: combining theory and experiments.
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- Topics in Catalysis, 2007, v. 44, n. 1/2, p. 15, doi. 10.1007/s11244-007-0335-3
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- Article
Bottom-Up Design of a Copper-Ruthenium Nanoparticulate Catalyst for Low-Temperature Ammonia Oxidation.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 30, p. 8711, doi. 10.1002/anie.201703468
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- Article
Enriching Surface‐Accessible CO<sub>2</sub> in the Zero‐Gap Anion‐Exchange‐Membrane‐Based CO<sub>2</sub> Electrolyzer.
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- Angewandte Chemie, 2023, v. 135, n. 3, p. 1, doi. 10.1002/ange.202214383
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- Article
High-throughput calculations of catalytic properties of bimetallic alloy surfaces.
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- Scientific Data, 2019, v. 6, n. 1, p. N.PAG, doi. 10.1038/s41597-019-0080-z
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- Article
Catalysis-Hub.org, an open electronic structure database for surface reactions.
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- Scientific Data, 2019, v. 6, n. 1, p. N.PAG, doi. 10.1038/s41597-019-0081-y
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- Article
The Catalyst Genome.
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- Angewandte Chemie International Edition, 2013, v. 52, n. 3, p. 776, doi. 10.1002/anie.201208487
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- Article
CatApp: A Web Application for Surface Chemistry and Heterogeneous Catalysis.
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- Angewandte Chemie International Edition, 2012, v. 51, n. 1, p. 272, doi. 10.1002/anie.201107947
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- Article
Descriptor-Based Analysis Applied to HCN Synthesis from NH.
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- Angewandte Chemie International Edition, 2011, v. 50, n. 20, p. 4601, doi. 10.1002/anie.201100353
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- Article
Linear Energy Relations and the Computational Design of Selective Hydrogenation/Dehydrogenation Catalysts.
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- Angewandte Chemie International Edition, 2009, v. 48, n. 52, p. 9782, doi. 10.1002/anie.200905141
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- Article
A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts.
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- NPJ Computational Materials, 2020, v. 6, n. 1, p. N.PAG, doi. 10.1038/s41524-020-00447-8
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- Article
On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene.
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- Angewandte Chemie International Edition, 2008, v. 47, n. 48, p. 9299, doi. 10.1002/anie.200802844
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- Article
Inside Cover: Trends in the Catalytic CO Oxidation Activity of Nanoparticles (Angew. Chem. Int. Ed. 26/2008).
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- Angewandte Chemie International Edition, 2008, v. 47, n. 26, p. 4762, doi. 10.1002/anie.200890123
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- Article
Trends in the Catalytic CO Oxidation Activity of Nanoparticles.
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- Angewandte Chemie International Edition, 2008, v. 47, n. 26, p. 4835, doi. 10.1002/anie.200801479
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- Article
Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces.
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- Angewandte Chemie International Edition, 2008, v. 47, n. 25, p. 4683, doi. 10.1002/anie.200705739
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- Article
Genetic algorithms for computational materials discovery accelerated by machine learning.
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- NPJ Computational Materials, 2019, v. 5, n. 1, p. N.PAG, doi. 10.1038/s41524-019-0181-4
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- Publication type:
- Article
Enriching Surface‐Accessible CO<sub>2</sub> in the Zero‐Gap Anion‐Exchange‐Membrane‐Based CO<sub>2</sub> Electrolyzer.
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- Angewandte Chemie International Edition, 2023, v. 62, n. 3, p. 1, doi. 10.1002/anie.202214383
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- Article
Das Katalysatorgenom.
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- Angewandte Chemie, 2013, v. 125, n. 3, p. 806, doi. 10.1002/ange.201208487
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- Article
CatApp: A Web Application for Surface Chemistry and Heterogeneous Catalysis.
- Published in:
- Angewandte Chemie, 2012, v. 124, n. 1, p. 278, doi. 10.1002/ange.201107947
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- Publication type:
- Article
Descriptor-Based Analysis Applied to HCN Synthesis from NH.
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- Angewandte Chemie, 2011, v. 123, n. 20, p. 4697, doi. 10.1002/ange.201100353
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- Publication type:
- Article
On the Role of Surface Modifications of Palladium Catalysts in the Selective Hydrogenation of Acetylene.
- Published in:
- Angewandte Chemie, 2008, v. 120, n. 48, p. 9439, doi. 10.1002/ange.200802844
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- Publication type:
- Article
To address surface reaction network complexity using scaling relations machine learning and DFT calculations.
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- Nature Communications, 2017, v. 8, n. 3, p. 14621, doi. 10.1038/ncomms14621
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- Article
MCML: Combining physical constraints with experimental data for a multi‐purpose meta‐generalized gradient approximation.
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- Journal of Computational Chemistry, 2021, v. 42, n. 28, p. 2004, doi. 10.1002/jcc.26732
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- Publication type:
- Article
Bottom-Up Design of a Copper-Ruthenium Nanoparticulate Catalyst for Low-Temperature Ammonia Oxidation.
- Published in:
- Angewandte Chemie, 2017, v. 129, n. 30, p. 8837, doi. 10.1002/ange.201703468
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- Publication type:
- Article
Preface.
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- Topics in Catalysis, 2014, v. 57, n. 1-4, p. 1, doi. 10.1007/s11244-013-0183-2
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- Article
On the Structure Sensitivity of Direct NO Decomposition over Low-Index Transition Metal Facets.
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- Topics in Catalysis, 2014, v. 57, n. 1-4, p. 80, doi. 10.1007/s11244-013-0164-5
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- Article
Genetic Algorithm Procreation Operators for Alloy Nanoparticle Catalysts.
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- Topics in Catalysis, 2014, v. 57, n. 1-4, p. 33, doi. 10.1007/s11244-013-0160-9
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- Article
Preface.
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- Topics in Catalysis, 2011, v. 54, n. 16-18, p. 1025, doi. 10.1007/s11244-011-9741-7
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- Article
On the Importance of Gradient-Corrected Correlation for van der Waals Density Functionals.
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- Topics in Catalysis, 2011, v. 54, n. 16-18, p. 1143, doi. 10.1007/s11244-011-9736-4
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- Article
RPBE-vdW Description of Benzene Adsorption on Au(111).
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- Topics in Catalysis, 2010, v. 53, n. 5/6, p. 378, doi. 10.1007/s11244-010-9443-6
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- Article
CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends.
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- Catalysis Letters, 2015, v. 145, n. 3, p. 794, doi. 10.1007/s10562-015-1495-6
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- Article
The Influence of Particle Shape and Size on the Activity of Platinum Nanoparticles for Oxygen Reduction Reaction: A Density Functional Theory Study.
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- Catalysis Letters, 2014, v. 144, n. 3, p. 380, doi. 10.1007/s10562-013-1188-y
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- Article
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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- Catalysis Letters, 2011, v. 141, n. 3, p. 370, doi. 10.1007/s10562-010-0477-y
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- Article
Mechanism study of floating catalyst CVD synthesis of SWCNTs.
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- Physica Status Solidi (B), 2010, v. 247, n. 11/12, p. 2708, doi. 10.1002/pssb.201000226
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Machine Learning for Computational Heterogeneous Catalysis.
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- ChemCatChem, 2019, v. 11, n. 16, p. 3581, doi. 10.1002/cctc.201900595
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- Article
Volcano Relations for Oxidation of Hydrogen Halides over Rutile Oxide Surfaces.
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- ChemCatChem, 2012, v. 4, n. 11, p. 1856, doi. 10.1002/cctc.201200140
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- Article
Metal Oxide-Supported Platinum Overlayers as Proton-Exchange Membrane Fuel Cell Cathodes.
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- ChemCatChem, 2012, v. 4, n. 2, p. 228, doi. 10.1002/cctc.201100308
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- Article
Cover Picture: Volcano Relation for the Deacon Process over Transition-Metal Oxides (ChemCatChem 1/2010).
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- ChemCatChem, 2010, v. 2, n. 1, p. 1, doi. 10.1002/cctc.201090001
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- Article
Volcano Relation for the Deacon Process over Transition-Metal Oxides.
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- ChemCatChem, 2010, v. 2, n. 1, p. 98, doi. 10.1002/cctc.200900194
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- Article