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Influence of Electronic Spin and Spin–Orbit Coupling on Decoherence in Mononuclear Transition Metal Complexes

✍ Scribed by Graham, Michael J.; Zadrozny, Joseph M.; Shiddiq, Muhandis; Anderson, John S.; Fataftah, Majed S.; Hill, Stephen; Freedman, Danna E.

Book ID
121870398
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
284 KB
Volume
136
Category
Article
ISSN
0002-7863

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✍ Martin Kaupp; Roman Reviakine; Olga L. Malkina; Alexei Arbuznikov; Bernd Schimme 📂 Article 📅 2002 🏛 John Wiley and Sons 🌐 English ⚖ 120 KB

We report the first implementation of the calculation of electronic g-tensors by density functional methods with hybrid functionals. Spin-orbit coupling is treated by the atomic meanfield approximation. g-Tensors for a set of small main group radicals and for a series of ten 3d and two 4d transition