Keyphrases
Molecular Dynamics
100%
Binding Energy
100%
Dynamic Characterization
100%
Triazacyclohexanes
100%
5-trinitro-1
100%
One-unit-cell
100%
Void Defect
100%
Local Binding
100%
Thermal Behavior
50%
Conformational Change
50%
Flexible Molecules
50%
Hexane
50%
Ground State Properties
50%
Free Lattice
50%
Formation Energy
50%
Single Vacancy
50%
Molecular Diffusion Coefficient
50%
Void Growth
50%
Energetic Materials
50%
Empirical Force Field
50%
Void Size
50%
Detonation Initiation
50%
Chemistry
Molecular Dynamics
100%
Energetics
100%
Binding Energy
100%
Ground State
50%
Lattice Model
50%
Diffusion Coefficient
50%
Hexane
50%
Engineering
Defects
100%
Mols
66%
Energetics
66%
Binding Energy
66%
Thermal Behavior
33%
Formation Energy
33%
Void Growth
33%
Diffusion Coefficient
33%
Ground State
33%
Material Science
Crystalline Material
100%
Diffusivity
50%
Void Growth
50%
Explosive
50%
Chemical Engineering
Diffusion
100%
Hexane
100%