Ab initio chemical kinetics for SiH₃ reactions with Si _xH_2x+2 (x = 1-4)

Keyphrases

• Silane 100%
• Chemical Kinetics 100%
• SiH3 100%
• H-abstraction 75%
• Low Energy 50%
• A-Si 50%
• Si2H6 50%
• Chemical Vapor Deposition 25%
• Temperature Range 25%
• Potential Energy Surface 25%
• Reaction Barrier 25%
• B3LYP 25%
• Density Functional Theory 25%
• Heat of Formation 25%
• Substitution Reaction 25%
• Ab Initio Molecular Orbital 25%
• CCSD(T) 25%
• Film Growth 25%
• Product Channel 25%
• Alkanes 25%
• Thin Film Deposition 25%
• Energy Pathways 25%
• Low Barrier 25%
• Transition State Theory 25%
• Tunneling Correction 25%
• Transition State Theory Calculations 25%
• Molecular Transitions 25%
• Geometric Parameters 25%
• Low Energy Barrier 25%
• Energy Product 25%
• Gas-phase Kinetics 25%
• Gas-phase Mechanisms 25%

Chemistry

• Transition State Theory 100%
• Chemical Vapor Deposition 50%
• Potential Energy Surface 50%
• Molecular Orbital 50%
• Rate Constant 50%
• DFT-B3LYP Calculation 50%
• Enthalpy of Formation 50%
• Substitution Reaction 50%
• Density Functional Theory 50%
• CCSD 50%
• Energy Barrier 50%
• formation 50%
• Alkane 50%