First principles calculations of solid phase transition of nitromethane

Chemistry

• First Principle 100%
• Nitromethane 100%
• Lattice Parameter 100%
• Hydrogen Bond 66%
• Density of State 66%
• Energetics 33%
• Fermi Level 33%
• Molecular Structure 33%
• Dihedral Angle 33%
• Band Gap 33%
• Equation of State 33%
• Methyl Group 33%

Engineering

• Lattice Parameter 100%
• Energetics 33%
• Energy Gap 33%
• Pressure Range 33%
• Theoretical Study 33%
• Equation of State 33%
• Extreme Condition 33%
• Fermi Level 33%
• Sudden Change 33%
• Dihedral Angle 33%

Material Science

• Density 100%
• Lattice Constant 100%
• Hydrogen Bonding 66%
• Molecular Structure 33%
• Explosive 33%