Keyphrases
First-principles
100%
Vapor-liquid Equilibrium
100%
Arsine
100%
Exchange-correlation Functionals
40%
Vapor-liquid Coexistence
40%
Coexistence Curve
40%
Third Generation
20%
First-principles Method
20%
Intermolecular Interactions
20%
Valence
20%
Experimental Values
20%
Gibbs Ensemble Monte Carlo
20%
Phosphine
20%
Approximation Functional
20%
Generalized Gradient Approximation
20%
Kohn-Sham Density Functional Theory
20%
Small Systems
20%
Hydrides
20%
Pseudopotential
20%
Liquid Structure
20%
Parr
20%
Functional Yield
20%
Chemical Instability
20%
Flammability
20%
Intramolecular Interactions
20%
System Size
20%
System Size Effect
20%
Polarization Basis
20%
Dispersion Correction
20%
Stibine
20%
Popular
20%
High Computational Cost
20%
Chemistry
First Principle
100%
Phase Equilibria
100%
Critical Temperature
100%
Density Functional Theory
50%
Monte Carlo Method
50%
Gibbs Free Energy
50%
Generalized Gradient Approximation
50%
Liquid Structure
50%
Flammability
50%
Statistical Ensemble
50%
Size Effect
50%
Pseudopotential
50%
Arsine
50%
Engineering
Vapor-Liquid Equilibrium
100%
Functionals
100%
Experimental Value
50%
Generalized Gradient Approximation
50%
Critical Point
50%
Size Effect
50%
Liquid Structure
50%
Computational Cost
50%
Gibbs Free Energy
50%
Combustibility
50%
Material Science
First Principle Simulation
100%
Density
100%
Hydride
100%
Flammability
100%
Biochemistry, Genetics and Molecular Biology
Dispersion
100%
Flammability
100%
Arsine
100%