Keyphrases
Computational Approach
100%
Carbazole-based
100%
Thermodynamic Assessment
100%
Hydrogen Storage
100%
Polycyclic Compounds
100%
Storage Applications
100%
Liquid Organic Hydrogen Carrier
100%
Thermochemical Properties
66%
Liquid Phase
33%
Molecular Dynamics Simulation
33%
Systematic Method
33%
Methyl
33%
Density Functional Calculations
33%
Reversible Reaction
33%
Renewable Energy
33%
Reaction Characteristics
33%
Calculation Results
33%
Stereoisomers
33%
Carbazole Derivatives
33%
Dehydrogenation
33%
Model Dynamics
33%
Hydrogen Uptake Capacity
33%
Conductor-like Screening Model for Real Solvents (COSMO-RS)
33%
Hydrogen-rich
33%
Dehydrogenation Mechanism
33%
Carrier Material
33%
Benzocarbazole
33%
N-phenylcarbazole
33%
Stereoisomerism
33%
Chemistry
Hydrogen
100%
Carbazole
100%
Organic Polycyclic Compound
100%
Liquid Organic Hydrogen Carrier
100%
Dehydrogenation
66%
Stereoisomer
33%
Density Functional Theory
33%
Molecular dynamics simulation
33%
Material Science
Dehydrogenation
100%
Conductor
50%
Density
50%