Keyphrases
First-principles Calculations
100%
Hydrogen Storage
100%
Storage Compounds
100%
Ca(BH4)2
100%
Density Functional Calculations
66%
Thermodynamics
66%
Density Functional Theory
66%
Quaternary Compounds
66%
Decomposition Enthalpy
66%
Stoichiometry
33%
Reaction Pathway
33%
Large Database
33%
Amides
33%
Prediction Tool
33%
Monte Carlo
33%
Borohydride
33%
Crystal Structure Prediction
33%
Grand Canonical
33%
Thermodynamic Analysis
33%
Quaternary System
33%
Kinetic Behavior
33%
Finite Temperature
33%
Linear Programming Method
33%
Hydrogen Release
33%
Phonon Calculations
33%
H-systems
33%
Decomposition Reaction
33%
Ca-based
33%
Chemistry
First Principle
100%
Hydrogen
100%
Density Functional Theory
50%
Crystal Structure
50%
Decomposition Enthalpy
50%
Density Functional Theory
50%
Ground State
25%
Borohydride
25%
Reaction Stoichiometry
25%
Assert
25%
Finite-Temperature
25%
Chemical Decomposition
25%
Carboxamide
25%
Thermodynamic Analysis
25%
Phonons
25%
formation
25%
stability
25%
Structure Prediction
25%
Engineering
Hydrogen Storage
100%
Crystal Structure
100%
Mols
50%
Experimental Investigation
50%
Combined Method
50%
Quaternary System
50%
Borohydride
50%
Reaction Stoichiometry
50%
Ground State
50%
Linear Programming
50%
Material Science
Density
100%
Crystal Structure
50%
Chemical Decomposition
25%
Structure Prediction
25%