Related references
Note: Only part of the references are listed.Selective cleavage of ether C-O bond in lignin-derived compounds over Ru system under different H-sources
Jing-Pei Cao et al.
FUEL (2021)
Hydrogen coverage dependent C=C hydrogenation activity on Rh(111)
Hao Li et al.
CHEMICAL PHYSICS LETTERS (2020)
Heterogeneous Catalyst Design Principles for the Conversion of Lignin into High-Value Commodity Fuels and Chemicals
Mark Gale et al.
CHEMSUSCHEM (2020)
Liquefaction and Hydrodeoxygenation of Polymeric Lignin Using a Hierarchical Ni Microreactor Catalyst
Zhicheng Luo et al.
ACS SUSTAINABLE CHEMISTRY & ENGINEERING (2020)
qvasp: A flexible toolkit for VASP users in materials simulations
Wencai Yi et al.
COMPUTER PHYSICS COMMUNICATIONS (2020)
Catalytic Conversion of Coal and Biomass Volatiles: A Review
Xue-Yu Ren et al.
ENERGY & FUELS (2020)
Highly selective aromatic ring hydrogenation of lignin-derived compounds over macroporous Ru/Nb2O5 with the lost acidity at room temperature
Wei Jiang et al.
FUEL (2020)
Recent advances in the selective catalytic hydrodeoxygenation of lignin-derived oxygenates to arenes
Jianghao Zhang et al.
GREEN CHEMISTRY (2020)
Nb(Ta)-based solid acid modified Pt/CNTs catalysts for hydrodeoxygenation of lignin-derived compounds
Weixiang Guan et al.
MOLECULAR CATALYSIS (2019)
Bimetallic effects in the catalytic hydrogenolysis of lignin and its model compounds on Nickel-Ruthenium catalysts
Chen Zhu et al.
FUEL PROCESSING TECHNOLOGY (2019)
Selective hydrodeoxygenation of lignin oil to valuable phenolics over Au/Nb2O5 in water
Lin Dong et al.
GREEN CHEMISTRY (2019)
Hydrodeoxygenation of phenol over Ni-based bimetallic single-atom surface alloys: mechanism, kinetics and descriptor
Jingwen Zhou et al.
CATALYSIS SCIENCE & TECHNOLOGY (2019)
TPD and HREELS study of the reaction of guaiacol on Zn-decorated Pt(111)
Daming Shi et al.
CATALYSIS TODAY (2018)
Mechanism of deoxygenation in anisole decomposition over single-metal loaded HZSM-5: Experimental study
Jiajun Zhang et al.
CHEMICAL ENGINEERING JOURNAL (2018)
Bright Side of Lignin Depolymerization: Toward New Platform Chemicals
Zhuohua Sun et al.
CHEMICAL REVIEWS (2018)
Density Functional Theory Probe of the Hydrolysis of Heavy Hydrocarbon Structural Moieties in Supercritical Water
Hassan Alasiri et al.
ENERGY & FUELS (2018)
Hydrodeoxygenation of m-cresol over bimetallic NiFe alloys: Kinetics and thermodynamics insight into reaction mechanism
Xiaoyang Liu et al.
JOURNAL OF CATALYSIS (2018)
First-principles mechanistic study of ring hydrogenation and deoxygenation reactions of eugenol over Ru(0001) catalysts
Matej Hus et al.
JOURNAL OF CATALYSIS (2018)
Chirality, Rigidity, and Conjugation: A First-Principles Study of the Key Molecular Aspects of Lignin Depolymerization on Ni-Based Catalysts
Qiang Li et al.
ACS CATALYSIS (2018)
Hydrogenolysis of lignin model compounds into aromatics with bimetallic Ru-Ni supported onto nitrogen-doped activated carbon catalyst
Yinghui Hu et al.
MOLECULAR CATALYSIS (2018)
Selective reductive cleavage of C-O bond in lignin model compounds over nitrogen-doped carbon-supported iron catalysts
Jiang Li et al.
MOLECULAR CATALYSIS (2018)
In-situ catalytic upgrading of bio-oil derived from fast pyrolysis of lignin over high aluminum zeolites
Irwan Kurnia et al.
FUEL PROCESSING TECHNOLOGY (2017)
Hydrodeoxygenation of Guaiacol on Ru Catalysts: Influence of TiO2-ZrO2 Composite Oxide Supports
Mohong Lu et al.
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2017)
Mechanistic analysis of the role of metal oxophilicity in the hydrodeoxygenation of anisole
Qiaohua Tan et al.
JOURNAL OF CATALYSIS (2017)
Mechanism of Methanol Decomposition on the Pt3Ni(111) Surface: DFT Study
Pan Du et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
One-Pot Process for Hydrodeoxygenation of Lignin to Alkanes Using Ru-Based Bimetallic and Bifunctional Catalysts Supported on Zeolite Y
Hongliang Wang et al.
CHEMSUSCHEM (2017)
Catalytic Conversion of Biomass into Chemicals and Fuels over Magnetic Catalysts
Bing Liu et al.
ACS CATALYSIS (2016)
Catalytic transformation of lignin to aromatic hydrocarbons over solid-acid catalyst: Effect of lignin sources and catalyst species
Dekui Shen et al.
ENERGY CONVERSION AND MANAGEMENT (2016)
Precise oxygen scission of lignin derived aryl ethers to quantitatively produce aromatic hydrocarbons in water
Zhicheng Luo et al.
GREEN CHEMISTRY (2016)
Direct hydrodeoxygenation of phenol over carbon-supported Ru catalysts: A computational study
Miroslav Rubes et al.
JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL (2016)
Catalytic Upgrading of Bio-Oil over Cu/MCM-41 and Cu/KIT-6 Prepared by β-Cyclodextrin-Assisted Coimpregnation Method
Surachai Karnjanakom et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Hydrodeoxygenation of Phenol to Benzene and Cyclohexane on Rh(111) and Rh(211) Surfaces: Insights from Density Functional Theory
Delfina Garcia-Pintos et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2016)
Mechanism of Dehydration of Phenols on Noble Metals via First-Principles Microkinetic Modeling
Geun Ho Gu et al.
ACS CATALYSIS (2016)
Decomposition Mechanism of Anisole on Pt(111): Combining Single-Crystal Experiments and First-Principles Calculations
Romain Reocreux et al.
ACS CATALYSIS (2016)
β-O-4 Bond Cleavage Mechanism for Lignin Model Compounds over Pd Catalysts Identified by Combination of First-Principles Calculations and Experiments
Jianmin Lu et al.
ACS CATALYSIS (2016)
Phenol hydrodeoxygenation: effect of support and Re promoter on the reactivity of Co catalysts
I. T. Ghampson et al.
CATALYSIS SCIENCE & TECHNOLOGY (2016)
Selective arene production from transfer hydrogenolysis of benzyl phenyl ether promoted by a co-precipitated Pd/Fe3O4 catalyst
E. Paone et al.
CATALYSIS SCIENCE & TECHNOLOGY (2016)
Selective production of aromatic hydrocarbons from catalytic pyrolysis of biomass over Cu or Fe loaded mesoporous rod-like alumina
Surachai Karnjanakom et al.
RSC ADVANCES (2016)
Theoretical Investigation of the Reaction Mechanism of the Guaiacol Hydrogenation over a Pt(111) Catalyst
Jianmin Lu et al.
ACS CATALYSIS (2015)
Role of Dissociation of Phenol in Its Selective Hydrogenation on Pt(111) and Pd(111)
Gaofeng Li et al.
ACS CATALYSIS (2015)
Effect of metal-support interaction on the selective hydrodeoxygenation of anisole to aromatics over Ni-based catalysts
Yongxing Yang et al.
APPLIED CATALYSIS B-ENVIRONMENTAL (2014)
Catalytic hydrodeoxygenation of anisole as lignin model compound over supported nickel catalysts
Shaohua Jin et al.
CATALYSIS TODAY (2014)
Conversion of Biomass into Chemicals over Metal Catalysts
Michele Besson et al.
CHEMICAL REVIEWS (2014)
A DFT study of furan hydrogenation and ring opening on Pd(111)
Shengguang Wang et al.
GREEN CHEMISTRY (2014)
Comparison of kinetics, activity and stability of Ni/HZSM-5 and Ni/Al2O3-HZSM-5 for phenol hydrodeoxygenation
Chen Zhao et al.
JOURNAL OF CATALYSIS (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
A review of catalytic upgrading of bio-oil to engine fuels
P. M. Mortensen et al.
APPLIED CATALYSIS A-GENERAL (2011)
Accurate and efficient algorithm for Bader charge integration
Min Yu et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Effect of the Damping Function in Dispersion Corrected Density Functional Theory
Stefan Grimme et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2011)
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
Stefan Grimme et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
A grid-based Bader analysis algorithm without lattice bias
W. Tang et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Improved grid-based algorithm for Bader charge allocation
Edward Sanville et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2007)
A fast and robust algorithm for Bader decomposition of charge density
Graeme Henkelman et al.
COMPUTATIONAL MATERIALS SCIENCE (2006)
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
G Henkelman et al.
JOURNAL OF CHEMICAL PHYSICS (2000)