Geometry optimization of the ring-opened oxirane diradical: mechanism of the addition reaction of the triplet oxygen atom to olefins

Chemical Compounds

• Addition Reaction 77%
• Alkene 55%
• Carbon Atom 36%
• Electron Spin 64%
• Energy 36%
• Orbital 64%
• Oxirane 91%
• Oxygen Atom 62%
• Triplet State 78%

Physics & Astronomy

• alkenes 100%
• atomic energy levels 83%
• carbon 25%
• energy 11%
• geometry 43%
• gradients 25%
• optimization 51%
• orbitals 27%
• oxygen atoms 80%
• rings 53%