A computational analysis of the interaction of lattice and intramolecular vibrational modes in crystalline α -RDX

Keyphrases

• Computational Analysis 100%
• Nitro 100%
• Vibrational Modes 100%
• Degrees of Freedom 100%
• Internal Degrees of Freedom 100%
• Computer Model 50%
• Molecular Motion 50%
• Symmetry Property 50%
• Force Field 50%
• Vibrational Spectra 50%
• Bond Stretching 50%
• Nitro Group 50%
• Dihedral Angle 50%
• Center of Mass 50%
• Rotation Mode 50%
• Bending Angle 50%
• Supercells 50%
• Lattice Energy 50%
• Angle Variation 50%
• Stretch-bending 50%
• Lattice Modes 50%
• Center-of-mass Motion 50%
• Detonation Initiation 50%
• Out-of-plane Motion 50%

Engineering

• Degree of Freedom 100%
• Computational Analysis 100%
• Normal Modes 50%
• Internal Degree 50%
• Energy Engineering 25%
• Plane Motion 25%
• Supercell 25%
• Molecular Motion 25%
• Dihedral Angle 25%

Chemistry

• Normal Modes 100%
• Dihedral Angle 50%
• Nitro Group 50%
• Crystal Energy 50%
• Vibrational Spectra 50%
• Chlordiazepoxide 50%