Oil's tipping point has passed
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January 2012 |
An Oil Gusher in the Offing, but Will It Be Enough?
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November 2012 |
A review of catalytic upgrading of bio-oil to engine fuels
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November 2011 |
Renewable fuels via catalytic hydrodeoxygenation
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April 2011 |
Fast pyrolysis technology development
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March 2010 |
Catalyst studies on the hydrotreatment of fast pyrolysis oil
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August 2010 |
Aqueous-phase hydrodeoxygenation of bio-derived phenols to cycloalkanes
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May 2011 |
Catalytic hydrodeoxygenation (HDO) of phenol over supported molybdenum carbide, nitride, phosphide and oxide catalysts
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March 2014 |
Ionic liquid modified montmorillonite-supported Ru nanoparticles: highly efficient heterogeneous catalysts for the hydrodeoxygenation of phenolic compounds to cycloalkanes
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January 2014 |
Comparison of kinetics, activity and stability of Ni/HZSM-5 and Ni/Al2O3-HZSM-5 for phenol hydrodeoxygenation
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December 2012 |
Selective catalytic hydroalkylation and deoxygenation of substituted phenols to bicycloalkanes
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April 2012 |
Amorphous unsupported Ni–Mo sulfide prepared by one step hydrothermal method for phenol hydrodeoxygenation
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January 2012 |
Hydrodeoxygenation of phenols as lignin models under acid-free conditions with carbon-supported platinum catalysts
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January 2011 |
Competitive reactions and mechanisms in the simultaneous HDO of phenol and methyl heptanoate over sulphided NiMo/γ-Al2O3
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December 2010 |
Hydrodeoxygenation and coupling of aqueous phenolics over bifunctional zeolite-supported metal catalysts
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January 2010 |
Development of new catalytic systems for upgraded bio-fuels production from bio-crude-oil and biodiesel
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June 2009 |
Influence of MoS2 catalyst morphology on the hydrodeoxygenation of phenols
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March 2008 |
Bio-oil hydrodeoxygenation: Adsorption of phenolic compounds on sulfided (Co)Mo catalysts
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January 2013 |
Hydrodeoxygenation of Lignin-Derived Phenolic Monomers and Dimers to Alkane Fuels over Bifunctional Zeolite-Supported Metal Catalysts
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January 2014 |
Hydrodeoxygenation of 2-ethylphenol as a model compound of bio-crude over sulfided Mo-based catalysts: Promoting effect and reaction mechanism
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August 2010 |
Screening of Catalysts for Hydrodeoxygenation of Phenol as a Model Compound for Bio-oil
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July 2013 |
Hydrodeoxygenation of Guaiacol over Ru(0001): A DFT Study
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October 2014 |
Theoretical investigation of the reaction mechanism of the hydrodeoxygenation of guaiacol over a Ru(0 0 0 1) model surface
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January 2015 |
Theoretical Investigation of the Reaction Mechanism of the Guaiacol Hydrogenation over a Pt(111) Catalyst
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March 2015 |
Theoretical and experimental studies of the adsorption geometry and reaction pathways of furfural over FeNi bimetallic model surfaces and supported catalysts
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August 2014 |
Computational study of the adsorption and dissociation of phenol on Pt and Rh surfaces
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journal
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January 2012 |
Phenol Deoxygenation Mechanisms on Fe(110) and Pd(111)
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December 2014 |
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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July 1996 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
An object-oriented scripting interface to a legacy electronic structure code
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January 2002 |
Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation
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June 2012 |
A benchmark database for adsorption bond energies to transition metal surfaces and comparison to selected DFT functionals
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October 2015 |
From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
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December 2000 |
Assessing the reliability of calculated catalytic ammonia synthesis rates
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July 2014 |
CatMAP: A Software Package for Descriptor-Based Microkinetic Mapping of Catalytic Trends
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February 2015 |
On the effect of coverage-dependent adsorbate–adsorbate interactions for CO methanation on transition metal surfaces
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November 2013 |
Degree of Rate Control: How Much the Energies of Intermediates and Transition States Control Rates
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June 2009 |
Synthesis of Highly Active Co–Mo–S Unsupported Catalysts by a One-Step Hydrothermal Method for p -Cresol Hydrodeoxygenation
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March 2014 |
Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response
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May 2013 |
Chemisorption of Benzene on Pt(111), Pd(111), and Rh(111) Metal Surfaces: A Structural and Vibrational Comparison from First Principles
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May 2004 |
The chemisorption of hydrogen on Rh(111)
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June 1979 |
First-Principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase
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July 2014 |
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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November 2010 |