Keyphrases
2-Methylfuran
82%
Hydrodeoxygenation
76%
C-O Bond Activation
71%
Density Functional Theory
66%
C-O Bond
61%
Oxygen Vacancy
47%
Biomass Materials
47%
Molecular Mechanics
47%
Quantum Mechanics
47%
Furanics
43%
Scaling Relationship
39%
Ring Opening
39%
Furfuryl Alcohol
39%
Density Functional Calculations
39%
Metal Oxide Catalyst
31%
Rutile
31%
Noble Metal Catalyst
31%
Furfural
31%
Mechanistic Studies
31%
Quantum Mechanics-molecular Mechanics
28%
Bond Formation
28%
Adsorbate
27%
Methane Conversion
23%
Bond-order Potentials
23%
Adsorption Model
23%
Parameter-free
23%
Correlated Electrons
23%
Energy Minimum
23%
Localized Orbitals
23%
Bond Breaking
23%
Analysis Application
23%
Tight-binding
23%
Generalized Gradient Approximation
23%
5-dicarboxylic Acid
23%
Bimolecular
23%
Mars-van Krevelen
23%
Electrochemical Recycling
23%
Spin multiplicity
23%
Uncertainty Quantification
23%
Langmuir
23%
Tight-binding Potential
23%
Semi-empirical Tight-binding
23%
Many-electron Atom
23%
Mathematical Form
23%
Nonparametric
23%
Flame Reduction
23%
Photoelectrochemical Conversion
23%
Liquid Oxygenates
23%
PH-dependent Kinetics
23%
Quantum Chemical Calculations
23%
Chemistry
Density Functional Theory
100%
Hydrodeoxygenation
63%
Metal Oxide
59%
2-Methylfuran
51%
Hydrogenolysis
47%
Ruthenium
47%
Lewis Acid
47%
Quantum Mechanics
47%
Molecular Mechanic
47%
Oxygen Vacancy
43%
Ring Opening Reaction
39%
Furan
35%
2,5-Dimethylfuran
35%
Hydrogenation
35%
Furfural
35%
Metal Catalyst
35%
Mechanistic Study
31%
Noble Metal
31%
Furfuryl Alcohol
30%
First Principle
29%
State-of-Charge
23%
Glutamate
23%
Homogeneous Catalyst
23%
Vibrational Frequency
23%
Adipic Acid
23%
Cresol
23%
5-Hydroxymethylfurfural
23%
Tetrahydrofuran
23%
Dicarboxylic Acid
23%
Transition Element
23%
Energetics
23%
Titanium Dioxide
23%
Epoxidation
23%
Titanium
23%
Electronic State
19%
Phase Composition
18%
Gibbs Free Energy
18%
Kinetic Study
17%
X Ray Absorption Spectroscopy
17%
Equilibrium Constant
13%
Kinetics Measurement
13%
Molecular Dynamics
13%
Monolayer
11%
Ground State
11%
Bond Order
11%
Metal Carbide
11%
Metal Oxide
11%
Generalized Gradient Approximation
11%
Hydrogen Donor
11%
Bioactivity
11%