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Particle Size Effect of Hydride Formation and Surface Hydrogen Adsorption of Nanosized Palladium Catalysts: L 3 Edge vs K Edge X-ray Absorption Spectroscopy
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July 2009 |
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Special points for Brillouin-zone integrations
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June 1976 |
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
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Catalytic synthesis of distillate-range ethers and olefins from ethanol through Guerbet coupling and etherification
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January 2019 |
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Selectivity tuning over monometallic and bimetallic dehydrogenation catalysts: effects of support and particle size
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January 2018 |
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The average Pd oxidation state in Pd/SiO2 quantified by L3-edge XANES analysis and its effects on catalytic activity for CO oxidation
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January 2012 |
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Review of catalytic systems and thermodynamics for the Guerbet condensation reaction and challenges for biomass valorization
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January 2015 |
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Accurate and simple analytic representation of the electron-gas correlation energy
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June 1992 |
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Kinetics and Mechanism of Ketonization of Acetic Acid on Ru/TiO2 Catalyst
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November 2013 |
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Finite Size Effects in Submonolayer Catalysts Investigated by CO Electrosorption on Pt sML /Pd(100)
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September 2017 |
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Cleave and couple: toward fully sustainable catalytic conversion of lignocellulose to value added building blocks and fuels
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January 2018 |
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Conversion of furfural and 2-methylpentanal on Pd/SiO2 and Pd–Cu/SiO2 catalysts
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May 2011 |
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Effect of Au nanoparticles on the activity of TiO 2 for ethanol upgrading reactions
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February 2018 |
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Applications of extended X-ray absorption fine-structure spectroscopy to studies of bimetallic nanoparticle catalysts
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January 2012 |
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
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Catalytic deoxygenation of unsaturated renewable feedstocks for production of diesel fuel hydrocarbons
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May 2008 |
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Efficient Catalytic Conversion of Ethanol to 1-Butanol via the Guerbet Reaction over Copper- and Nickel-Doped Porous
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December 2016 |
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Mechanistic Insight to C–C Bond Formation and Predictive Models for Cascade Reactions among Alcohols on Ca- and Sr-Hydroxyapatites
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June 2016 |
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Deoxygenation of palmitic and stearic acid over supported Pd catalysts: Effect of metal dispersion
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February 2009 |
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Heterogeneous Catalysts for the Guerbet Coupling of Alcohols
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June 2013 |
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An object-oriented scripting interface to a legacy electronic structure code
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January 2002 |
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Lattice strain effects on CO oxidation on Pt(111)
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January 2006 |
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Direct Catalytic Conversion of Ethanol to C 5+ Ketones: Role of Pd–Zn Alloy on Catalytic Activity and Stability
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July 2020 |
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Integration of chemical catalysis with extractive fermentation to produce fuels
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November 2012 |
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Quantitative comparison of theoretical calculations with the experimentally determined electron density distribution of formamide
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April 1978 |
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Role of Strain and Ligand Effects in the Modification of the Electronic and Chemical Properties of Bimetallic Surfaces
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XSEDE: Accelerating Scientific Discovery
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Calculation of the vacancy formation energy in aluminium
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January 1989 |
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Review of Pt-Based Bimetallic Catalysis: From Model Surfaces to Supported Catalysts
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August 2012 |
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X-ray tomography measurements identify structure-reactivity correlations in catalysts for oxygenates coupling reactions
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October 2019 |
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Carbon-Increasing Catalytic Strategies for Upgrading Biomass into Energy-Intensive Fuels and Chemicals
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December 2017 |
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A comparison of furfural hydrodeoxygenation over Pt-Co and Ni-Fe catalysts at high and low H2 pressures
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March 2018 |
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Overview of catalyst application in petroleum refinery for biomass catalytic pyrolysis and bio-oil upgrading
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January 2015 |
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ABE Condensation over Monometallic Catalysts: Catalyst Characterization and Kinetics
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February 2017 |
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Towards ALD thin film stabilized single-atom Pd 1 catalysts
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January 2016 |
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Condensation and esterification reactions of alkanals, alkanones, and alkanols on TiO2: Elementary steps, site requirements, and synergistic effects of bifunctional strategies
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August 2016 |
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Ketonization of Carboxylic Acids: Mechanisms, Catalysts, and Implications for Biomass Conversion
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October 2013 |
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Synergistic Effects in Bimetallic Palladium–Copper Catalysts Improve Selectivity in Oxygenate Coupling Reactions
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May 2016 |
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From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
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Structure, activity, and selectivity of bimetallic Pd-Fe/SiO2 and Pd-Fe/γ-Al2O3 catalysts for the conversion of furfural
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June 2017 |
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Growing the Bioeconomy through Catalysis: A Review of Recent Advancements in the Production of Fuels and Chemicals from Syngas-Derived Oxygenates
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April 2019 |
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Dipole correction for surface supercell calculations
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May 1999 |
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AgPd and CuPd Catalysts for Selective Hydrogenation of Acetylene
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July 2020 |
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Tuning the selectivities of Mg-Al mixed oxides for ethanol upgrading reactions through the presence of transition metals
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June 2018 |
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Synthesis of higher alcohols on copper catalysts supported on alkali-promoted basic oxides
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May 1998 |
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Catalytic valorization of bioethanol over Cu-Mg-Al mixed oxide catalysts
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October 2009 |
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Ab initio molecular dynamics for open-shell transition metals
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November 1993 |
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Projector augmented-wave method
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December 1994 |
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Core-Shell Nanocatalyst Design by Combining High-Throughput Experiments and First-Principles Simulations
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October 2013 |
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Pd L 3 edge XANES investigation of the electronic and geometric structure of Pd/Ag–H membranes
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January 2004 |
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Condensation reactions of propanal over CexZr1−xO2 mixed oxide catalysts
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September 2010 |
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Enhancement of the 1-butanol productivity in the ethanol condensation catalyzed by noble metal nanoparticles supported on Mg-Al mixed oxide
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August 2018 |
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Insights into Nitrate Reduction over Indium-Decorated Palladium Nanoparticle Catalysts
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December 2017 |