Related references
Note: Only part of the references are listed.Characterization of amorphous silica based catalysts using DFT computational methods
Frederik Tielens et al.
CATALYSIS TODAY (2020)
A Review on Lignin Liquefaction: Advanced Characterization of Structure and Microkinetic Modeling
Evan Terrell et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2020)
Contributions to Lignomics: Stochastic Generation of Oligomeric Lignin Structures for Interpretation of MALDI-FT-ICR-MS Results
Evan Terrell et al.
CHEMSUSCHEM (2020)
Lignin Monomers from beyond the Canonical Monolignol Biosynthetic Pathway: Another Brick in the Wall
Jose C. del Rio et al.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2020)
Interaction between transition metals (Co, Ni, and Cu) systems and amorphous silica surfaces: A DFT investigation
Saber Gueddida et al.
APPLIED SURFACE SCIENCE (2020)
Grafting of iron on amorphous silica surfaces from ab initio calculations
Saber Gueddida et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Imprinting isolated single iron atoms onto mesoporous silica by templating with metallosurfactants
Y. Berro et al.
JOURNAL OF COLLOID AND INTERFACE SCIENCE (2020)
Assessing the Potential of Amorphous Silica Surfaces for the Removal of Phenol from Biofuel: A Density Functional Theory Investigation
Saber Gueddida et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Preparation of nickel (oxide) nanoparticles confined in the secondary pore network of mesoporous scaffolds using melt infiltration
S. Chen et al.
CATALYSIS TODAY (2019)
Theoretical study of the role of the interface of Ag4 nanoclusters deposited on TiO2(110) and TiO2(101)
Ana B. Schvval et al.
APPLIED SURFACE SCIENCE (2019)
Atomistic description of phenol, CO and H2O adsorption over crystalline and amorphous silica surfaces for hydrodeoxygenation applications
Youssef Berro et al.
APPLIED SURFACE SCIENCE (2019)
Theoretical and experimental insight into zinc loading on mesoporous silica
Tomasz Siodla et al.
MICROPOROUS AND MESOPOROUS MATERIALS (2018)
Beyond Ordered Materials: Understanding Catalytic Sites on Amorphous Solids
Bryan R. Goldsmith et al.
ACS CATALYSIS (2017)
Highly dispersed copper (oxide) nanoparticles prepared on SBA-15 partially occluded with the P123 surfactant: toward the design of active hydrogenation catalysts
B. Dragoi et al.
CATALYSIS SCIENCE & TECHNOLOGY (2017)
Improved dispersion of transition metals in mesoporous materials through a polymer-assisted melt infiltration method
C. Ciotonea et al.
CATALYSIS SCIENCE & TECHNOLOGY (2017)
Confining for Stability: Heterogeneous Catalysis with Transition Metal (Oxide) Nanoparticles Confined in the Secondary Pore Network of Mesoporous Scaffolds
Carmen Ciotonea et al.
CHEMNANOMAT (2017)
Deep HDS of FCC gasoline over alumina supported CoMoS catalyst: Inhibiting effects of carbon monoxide and water
Florian Pelardy et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2016)
Reduction of chromia-silica catalysts: A molecular picture
Maciej Gierada et al.
JOURNAL OF CATALYSIS (2016)
Hydration in silica based mesoporous materials: a DFT model
Maciej Gierada et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Amorphous SiO2 surface models: energetics of the dehydroxylation process, strain, ab initio atomistic thermodynamics and IR spectroscopic signatures
Aleix Comas-Vives
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Density functional theory based-study of 5-fluorouracil adsorption on β-cristobalite (111) hydroxylated surface: The importance of H-bonding interactions
S. Simonetti et al.
APPLIED SURFACE SCIENCE (2015)
Hydrodeoxygenation processes: Advances on catalytic transformations of biomass-derived platform chemicals into hydrocarbon fuels
Sudipta De et al.
BIORESOURCE TECHNOLOGY (2015)
Heterogeneous catalysts for advanced bio-fuel production through catalytic biomass pyrolysis vapor upgrading: a review
Masoud Asadieraghi et al.
RSC ADVANCES (2015)
Magic numbers in small iron clusters: A first-principles study
Eunja Kim et al.
CHEMICAL PHYSICS LETTERS (2014)
Upgrading of lignin-derived bio-oils by catalytic hydrodeoxygenation
Majid Saidi et al.
ENERGY & ENVIRONMENTAL SCIENCE (2014)
Characterization of molybdenum monomeric oxide species supported on hydroxylated silica: a DFT study
Hazar Guesmi et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Lignin Valorization: Improving Lignin Processing in the Biorefinery
Arthur J. Ragauskas et al.
SCIENCE (2014)
Density functional theory simulations of complex catalytic materials in reactive environments: beyond the ideal surface at low coverage
Celine Chizallet et al.
CATALYSIS SCIENCE & TECHNOLOGY (2014)
Aromatic Chemicals by Iron-Catalyzed Hydrotreatment of Lignin Pyrolysis Vapor
Roberto Nicolas Olcese et al.
CHEMSUSCHEM (2013)
Hydrodeoxygenation of Guaiacol, A Surrogate of Lignin Pyrolysis Vapors, Over Iron Based Catalysts: Kinetics and Modeling of the Lignin to Aromatics Integrated Process
R. N. Olcese et al.
ENERGY & FUELS (2013)
Analytical techniques tailored for biomass transformation to biofuels
Gabriella Fogassy et al.
ENVIRONMENTAL PROGRESS & SUSTAINABLE ENERGY (2013)
Gas-phase hydrodeoxygenation of guaiacol over Fe/SiO2 catalyst
R. N. Olcese et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2012)
A review of catalytic hydrodeoxygenation of lignin-derived phenols from biomass pyrolysis
Quan Bu et al.
BIORESOURCE TECHNOLOGY (2012)
Catalytic roles of metals and supports on hydrodeoxygenation of lignin monomer guaiacol
Cho Rim Lee et al.
CATALYSIS COMMUNICATIONS (2012)
n-Heptane cracking over mixtures of HY and HZSM-5 zeolites: Influence of the presence of phenol
I. Graca et al.
FUEL (2012)
Fuels from bio-oils: Bio-oil production from different residual sources, characterization and thermal conditioning
Melisa Bertero et al.
FUEL (2012)
Hydrodeoxygenation of guaiacol as model compound for pyrolysis oil on transition metal phosphide hydroprocessing catalysts
H. Y. Zhao et al.
APPLIED CATALYSIS A-GENERAL (2011)
Hydrodeoxygenation of guaiacol with CoMo catalysts. Part I: Promoting effect of cobalt on HDO selectivity and activity
Van Ngoc Bui et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2011)
Guaiacol derivatives and inhibiting species adsorption over MoS2 and CoMoS catalysts under HDO conditions: A DFT study
Michael Badawi et al.
CATALYSIS COMMUNICATIONS (2011)
Anisole and Guaiacol Hydrodeoxygenation over Monolithic Pt-Sn Catalysts
Miguel Angel Gonzalez-Borja et al.
ENERGY & FUELS (2011)
Effect of H2S and CO on the transformation of 2-ethylphenol as a model compound of bio-crude over sulfided Mo-based catalysts: propositions of promoted active sites for deoxygenation pathways based on an experimental study
Christophe Bouvier et al.
GREEN CHEMISTRY (2011)
Hydrodeoxygenation of 2-ethylphenol as a model compound of bio-crude over sulfided Mo-based catalysts: Promoting effect and reaction mechanism
Y. Romero et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2010)
The Catalytic Valorization of Lignin for the Production of Renewable Chemicals
Joseph Zakzeski et al.
CHEMICAL REVIEWS (2010)
Lignin fast pyrolysis: Results from an international collaboration
D. J. Nowakowski et al.
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS (2010)
Improved Description of the Structure of Molecular and Layered Crystals: Ab Initio DFT Calculations with van der Waals Corrections
Tomas Bucko et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
Bio-oils Hydrodeoxygenation: Adsorption of Phenolic Molecules on Oxidic Catalyst Supports
Andrey Popov et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2010)
Structure and vibrational properties of cobalt clusters (n aparts per thousandcurrency sign 20)
S. D. Borisova et al.
PHYSICS OF THE SOLID STATE (2010)
Hydrotreatment of Fast Pyrolysis Oil Using Heterogeneous Noble-Metal Catalysts
Jelle Wildschut et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2009)
Ab initio study of the hydroxylated surface of amorphous silica: A representative model
Frederik Tielens et al.
CHEMISTRY OF MATERIALS (2008)
Identification and classification of components in flash pyrolysis oil and hydrodeoxygenated oils by two-dimensional gas chromatography and time-of-flight mass spectrometry
J. H. Marsman et al.
JOURNAL OF CHROMATOGRAPHY A (2008)
Investigation of the silanols groups of mesostructured silica prepared using a fluorinated surfactant: Influence of the hydrothermal temperature
J. L. Blin et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2007)
Historical developments in hydroprocessing bio-oils
Douglas C. Elliott
ENERGY & FUELS (2007)
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
Stefan Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2006)
First-principles study of the stability and Jahn-Teller distortion of nickel clusters
Z Xie et al.
PHYSICS LETTERS A (2005)
Structure and stability of copper clusters: A tight-binding molecular dynamics study
M Kabir et al.
PHYSICAL REVIEW A (2004)
Implementation of the projector augmented-wave LDA+U method:: Application to the electronic structure of NiO
O Bengone et al.
PHYSICAL REVIEW B (2000)
Catalytic hydrodeoxygenation
E Furimsky
APPLIED CATALYSIS A-GENERAL (2000)
Share Paper
