Quantum chemical/vRRKM study on the thermal decomposition of cyclopentadiene

Keyphrases

• Thermal Decomposition 100%
• Quantum Chemistry 100%
• Cyclopentadiene 100%
• UB3LYP 100%
• High Pressure 50%
• Hydrogen Bonds (H-bonds) 50%
• Potential Energy Surface 50%
• Dissociation Mechanism 50%
• Dissociation 50%
• Bimolecular Reaction 50%
• Density Functional 50%
• Isodesmic Reactions 50%
• Pressure Limit 50%
• Cyclopentadienone 50%
• Master Equation 50%
• Experimental Values 50%
• Bond Dissociation Energy 50%
• Variational 50%
• Reaction Enthalpy 50%
• Minimum Energy Path 50%
• Standard Enthalpy of Formation 50%
• Reaction Analysis 50%
• Isodesmic 50%

Chemistry

• Pyrolysis 100%
• Rate Constant 100%
• Cyclopentadiene 100%
• Enthalpy 50%
• Potential Energy Surface 50%
• Enthalpy of Formation 50%
• Bimolecular Reaction 50%
• Cyclopentadienyl 50%
• Master Equation 50%
• Dissociation Energy 50%
• Hydrogen Bond 50%