Guaiacol Hydrodeoxygenation Mechanism on Pt(111): Insights from Density Functional Theory and Linear Free Energy Relations

First-Principles Study of Phenol Hydrogenation on Pt and Ni Catalysts in Aqueous Phase

(2014) Yeohoon Yoon et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Brønsted–Evans–Polanyi and Transition State Scaling Relations of Furan Derivatives on Pd(111) and Their Relation to Those of Small Molecules

(2014) Shengguang Wang et al.   ACS Catalysis

Catalytic Fast Pyrolysis: A Review

(2013) Theodore Dickerson et al.   Energies

Combined DFT, Microkinetic, and Experimental Study of Ethanol Steam Reforming on Pt

(2013) Jonathan E. Sutton et al.   Journal of Physical Chemistry C

Density Functional Theory-Computed Mechanisms of Ethylene and Diethyl Ether Formation from Ethanol on γ-Al2O3(100)

(2013) Matthew A. Christiansen et al.   ACS Catalysis

Recent Advances in Hydrotreating of Pyrolysis Bio-Oil and Its Oxygen-Containing Model Compounds

(2013) Huamin Wang et al.   ACS Catalysis

Linear Energy Relations As Predictive Tools for Polyalcohol Catalytic Reactivity

(2013) Jérémie Zaffran et al.   ACS Catalysis

Selective Hydrodeoxygenation of Guaiacol Catalyzed by Platinum Supported on Magnesium Oxide

(2012) Tarit Nimmanwudipong et al.   CATALYSIS LETTERS

Language-oriented rule-based reaction network generation and analysis: Applications of RING

(2012) Srinivas Rangarajan et al.   COMPUTERS & CHEMICAL ENGINEERING

Language-oriented rule-based reaction network generation and analysis: Description of RING

(2012) Srinivas Rangarajan et al.   COMPUTERS & CHEMICAL ENGINEERING

The role of water in the adsorption of oxygenated aromatics on Pt and Pd

(2012) Jin Yang et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Catalytic Hydroprocessing of p-Cresol: Metal, Solvent and Mass-Transfer Effects

(2012) Haijun Wan et al.   TOPICS IN CATALYSIS

A Theoretical and Computational Analysis of Linear Free Energy Relations for the Estimation of Activation Energies

(2012) Jonathan E. Sutton et al.   ACS Catalysis

A review of catalytic upgrading of bio-oil to engine fuels

(2011) P.M. Mortensen et al.   APPLIED CATALYSIS A-GENERAL

Guaiacol derivatives and inhibiting species adsorption over MoS2 and CoMoS catalysts under HDO conditions: A DFT study

(2011) Michael Badawi et al.   CATALYSIS COMMUNICATIONS

Catalytic Reactions of Guaiacol: Reaction Network and Evidence of Oxygen Removal in Reactions with Hydrogen

(2011) Tarit Nimmanwudipong et al.   CATALYSIS LETTERS

A review of multiscale modeling of metal-catalyzed reactions: Mechanism development for complexity and emergent behavior

(2011) M. Salciccioli et al.   CHEMICAL ENGINEERING SCIENCE

Catalytic conversion of lignocellulosic biomass to fine chemicals and fuels

(2011) Chun-Hui Zhou et al.   CHEMICAL SOCIETY REVIEWS

Catalytic Hydrodeoxygenation of Guaiacol on Rh-Based and Sulfided CoMo and NiMo Catalysts

(2011) Yu-Chuan Lin et al.   ENERGY & FUELS

Catalytic Conversion of Guaiacol Catalyzed by Platinum Supported on Alumina: Reaction Network Including Hydrodeoxygenation Reactions

(2011) Tarit Nimmanwudipong et al.   ENERGY & FUELS

Aqueous-phase hydrodeoxygenation of bio-derived phenols to cycloalkanes

(2011) Chen Zhao et al.   JOURNAL OF CATALYSIS

An Efficient Reaction Pathway Search Method Applied to the Decomposition of Glycerol on Platinum

(2011) Y. Chen et al.   Journal of Physical Chemistry C

Kinetic Modeling of Pt Catalyzed and Computation-Driven Catalyst Discovery for Ethylene Glycol Decomposition

(2011) M. Salciccioli et al.   ACS Catalysis

Catalytic conversion of compounds representative of lignin-derived bio-oils: a reaction network for guaiacol, anisole, 4-methylanisole, and cyclohexanone conversion catalysed by Pt/γ-Al2O3

(2011) Ron C. Runnebaum et al.   Catalysis Science & Technology

Hydrodeoxygenation of 2-ethylphenol as a model compound of bio-crude over sulfided Mo-based catalysts: Promoting effect and reaction mechanism

(2010) Y. Romero et al.   APPLIED CATALYSIS B-ENVIRONMENTAL

The Catalytic Valorization of Lignin for the Production of Renewable Chemicals

(2010) Joseph Zakzeski et al.   CHEMICAL REVIEWS

Effect of Selective Condensation on the Characterization of Bio-oil from Pine Sawdust Fast Pyrolysis Using a Fluidized-Bed Reactor

(2010) Tianju Chen et al.   ENERGY & FUELS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Adsorption structures of phenol on theSi(001)−(2×1)surface calculated using density functional theory

(2010) Karen Johnston et al.   PHYSICAL REVIEW B

Highly Selective Catalytic Conversion of Phenolic Bio-Oil to Alkanes

(2009) Chen Zhao et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Hydrotreatment of Fast Pyrolysis Oil Using Heterogeneous Noble-Metal Catalysts

(2009) Jelle Wildschut et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Selective Degradation of Wood Lignin over Noble‐Metal Catalysts in a Two‐Step Process

(2008) Ning Yan et al.   ChemSusChem

Dehydrogenation of benzene on Pt(111) surface

(2008) W. Gao et al.   JOURNAL OF CHEMICAL PHYSICS

Brønsted−Evans−Polanyi Relation of Multistep Reactions and Volcano Curve in Heterogeneous Catalysis

(2008) Jun Cheng et al.   Journal of Physical Chemistry C

BEP relations for N2 dissociation over stepped transition metal and alloy surfaces

(2008) Ture R. Munter et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS