Computational studies of open-shell phosphorus oxyacids. Cheletropic reaction of PO₂ with H₂

Keyphrases

• Phosphorus 100%
• Computational Study 100%
• Open-shell 100%
• Cheletropic Reaction 100%
• Oxyacids 100%
• Activation Energy 50%
• Electronic Structure Calculations 50%
• Thermal Process 50%
• High Barrier 50%
• Electronic States 50%
• Dioxide 50%
• Spin-unrestricted 50%

Chemistry

• Electronic State 100%
• Hydrogen 100%
• Phosphorus 100%
• Ground State 50%
• Reaction Activation Energy 50%
• Phosphorus Dioxide 50%

Material Science

• Activation Energy 100%
• Electronic Structure Calculation 100%