Works matching IS 10225528 AND DT 2012 AND VI 55 AND IP 5/6
Results: 17
Enantiospecific Chemisorption of Amino Acids on Step Decorated Chiral Cu Surfaces.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 243, doi. 10.1007/s11244-012-9793-3
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Evolution of Pt and Pt-Alloy Catalytic Surfaces Under Oxygen Reduction Reaction in Acid Medium.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 322, doi. 10.1007/s11244-012-9800-8
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Electronic Structure Engineering in Heterogeneous Catalysis: Identifying Novel Alloy Catalysts Based on Rapid Screening for Materials with Desired Electronic Properties.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 376, doi. 10.1007/s11244-012-9794-2
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Theoretical Investigation of Hydrogen Adsorption and Dissociation on Iron and Iron Carbide Surfaces Using the ReaxFF Reactive Force Field Method.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 391, doi. 10.1007/s11244-012-9796-0
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Selectivity of Adsorption of Thiophene and its Derivatives on Titania Anatase Surfaces: A Density Functional Theory Study.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 229, doi. 10.1007/s11244-012-9807-1
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Quantum Chemical Determination of Stable Intermediates on CO Adsorption Onto Metal(Salen) Complexes.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 260, doi. 10.1007/s11244-012-9802-6
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A Comparative Density Functional Theory Study of Water Gas Shift Over PdZn(111) and NiZn(111).
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 313, doi. 10.1007/s11244-012-9799-x
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Decomposition of Furan on Pd(111).
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 290, doi. 10.1007/s11244-012-9797-z
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- Article
Influence of Sulfur Poisoning on CO Adsorption on Pd(100).
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 267, doi. 10.1007/s11244-012-9792-4
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Construction of New Electronic Density Functionals with Error Estimation Through Fitting.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 402, doi. 10.1007/s11244-012-9801-7
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Platinum Nanoclusters Exhibit Enhanced Catalytic Activity for Methane Dehydrogenation.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 345, doi. 10.1007/s11244-012-9803-5
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- Article
Estimating the Thermochemistry of Adsorbates Based Upon Gas-Phase Properties.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 366, doi. 10.1007/s11244-012-9805-3
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- Article
Exploring Computational Design of Size-Specific Subnanometer Clusters Catalysts.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 353, doi. 10.1007/s11244-012-9804-4
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Density Functional Theory Study of Selectivity Considerations for C-C Versus C-O Bond Scission in Glycerol Decomposition on Pt(111).
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 280, doi. 10.1007/s11244-012-9806-2
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- Article
Aqueous NO Reduction with H Over Pd-Based Catalyst: Mechanistic Insights From Experiment and Simulation.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 300, doi. 10.1007/s11244-012-9795-1
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Preface: Trends in Computational Catalysis.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 227, doi. 10.1007/s11244-012-9808-0
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- Article
Search Directions for Direct HO Synthesis Catalysts Starting from Au Nanoclusters.
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- Topics in Catalysis, 2012, v. 55, n. 5/6, p. 336, doi. 10.1007/s11244-012-9798-y
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- Article