Encoding of polycyclic Si-containing molecules for determining species uniqueness in automated mechanism generation

Keyphrases

• Automated Mechanism Generation 100%
• Silicon Hydride 100%
• Species Uniqueness 100%
• Si-containing 100%
• Non-planar 50%
• Search Methods 50%
• Thermochemical Properties 50%
• Accurate Estimation 50%
• Thermodynamic Properties 50%
• Connected Component 50%
• Highly Symmetric 50%
• Depth-first Search 50%
• Graph-theoretic 50%
• Group Additivity 50%
• Linearly Independent 50%
• Symmetric Molecules 50%
• Encoding Algorithm 50%
• Cycle Selection 50%
• Complex Reaction System 50%
• Canonicalization 50%
• Independent Cycles 50%
• Cycle Finding 50%

Engineering

• Search Method 100%
• Connected Component 100%
• Independent Cycle 100%