Ab initio chemical kinetics for singlet CH ₂ reaction with N ₂and the related decomposition of diazomethane

Keyphrases

• Chemical Kinetics 100%
• Singlet 100%
• Diazomethane 100%
• Temperature Range 66%
• Cm(III) 66%
• Heat of Reaction 66%
• Branching Ratio 33%
• Potential Energy Surface 33%
• Single Point 33%
• B3LYP 33%
• Isomeric 33%
• CCSD(T) 33%
• Product Channel 33%
• Singlet State 33%
• Ab Initio Calculations 33%
• Experimental Values 33%
• Canonical Variational Transition State Theory 33%
• Rate Constant Prediction 33%
• Ar Pressure 33%
• NO Formation 33%
• RRKM Theory 33%
• High Barrier 33%
• Primary Channel 33%
• Diazirine 33%

Chemistry

• Rate Constant 100%
• Diazomethane 100%
• Heat of Reaction 50%
• Ab Initio Calculation 25%
• Potential Energy Surface 25%
• Transition State 25%
• DFT-B3LYP Calculation 25%
• CCSD 25%
• Singlet State 25%
• 3H-Diazirine 25%
• formation 25%
• stability 25%

Material Science

• Heat of Reaction 100%
• Surface Energy 50%
• Ab Initio Calculation 50%