Keyphrases
Density Functional Theory
100%
Carbon Atom
100%
CO2 Environment
100%
Gasification Biochar
100%
Biochar
75%
Reaction Pathway
50%
Thermodynamic Parameters
50%
Co-gasification
50%
Molecular Model
25%
Reaction Steps
25%
Activation Energy
25%
Miscanthus
25%
Kinetic Parameters
25%
Elemental Analysis
25%
Computational Methods
25%
Empirical Formula
25%
Gaseous Products
25%
Homolytic
25%
C-C Bond
25%
Gasification Process
25%
Gibbs Free Energy
25%
Transition State
25%
Degree of Difficulty
25%
Benzene Ring
25%
Ring-opening Reaction
25%
Free Enthalpy
25%
Reaction Thermodynamics
25%
Step Parameters
25%
Fourier Infrared Spectroscopy
25%
B3LYP/6-31G(d,p)
25%
Solid-state 13C NMR Spectroscopy
25%
Gibbs Free Energy Change
25%
Chemistry
Carbon Dioxide
100%
Density Functional Theory Study
100%
Carbon Atom
100%
Gasification
100%
Gibbs Free Energy
50%
Reaction Path
50%
Reaction Step
25%
Molecular Model
25%
Enthalpy
25%
Reaction Activation Energy
25%
13C NMR Spectroscopy
25%
Miscanthus
25%
Elemental Analysis
25%
DFT-B3LYP Calculation
25%
Density Functional Theory
25%
Ring Opening Reaction
25%
Transition State
25%
Benzene Ring
25%
Engineering
Gasification
100%
Biochar
100%
Gibbs Free Energy
50%
Thermodynamic Parameter
50%
Mols
25%
Activation Energy
25%
Reactant
25%
Kinetic Parameter
25%
Substituent
25%
Benzene Ring
25%
Chemical Engineering
Gasification
100%
Carbon Dioxide
100%
Biochar
100%
Gibbs Free Energy
75%
Chemical Element
25%
Gaseous Products
25%