Density functional theory study of CL-20/Nitroimidazoles energetic cocrystals in an external electric field

Chemistry

• Electric Field 100%
• Energetics 100%
• CL-20 100%
• Density Functional Theory Study 100%
• Dissociation Energy 33%
• Nitro Group 33%
• 1H-Imidazole 33%
• Electrostatic Potential 33%
• DFT-B3LYP Calculation 16%
• Density Functional Theory 16%
• Bond Length 16%
• Band Gap 16%
• Nitrogen Dioxide 16%
• Lowest Unoccupied Molecular Orbital 16%
• Highest Occupied Molecular Orbital 16%
• Frontier Orbital 16%