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Spin–orbit coupling and intersystem crossing in molecules

✍ Scribed by Christel M. Marian


Book ID
112232731
Publisher
Wiley (John Wiley & Sons)
Year
2011
Tongue
English
Weight
244 KB
Volume
2
Category
Article
ISSN
1759-0876

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Spin-orbit Coupling and Intersystem Cros
✍ Ling-Ling LÜ; Xin-Wen LIU; Kun YUAN; Yong-Cheng WANG; Han-Qing WANG 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 181 KB

The intersystem crossing channels of gaseous 4H-pyran-4-thione were investigated using the CASSCF//TD-B3LYP methods and group theory. Using the effective one-electron spin-orbit Hamiltonian, the strengths of spin-orbit coupling were estimated, which plays an essential role in the spin transitions be