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DFT study of the Jahn–Teller effect in Cu(II) chelate complexes

✍ Scribed by Maja Gruden-Pavlović; Matija Zlatar; Carl-Wilhelm Schläpfer; Claude Daul


Book ID
108286077
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
514 KB
Volume
954
Category
Article
ISSN
0166-1280

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Absorption band shape in five-coordinate
✍ M. Bacci 📂 Article 📅 1987 🏛 Elsevier Science 🌐 English ⚖ 233 KB

A Monte Carlo method has been used to analyze the absorption band shape for A-+E electronic transitions, with Jahn-Teller and pseudo-Jahn-Teller interactions included in the Hamiltonian. The results obtained suggest a reconsideration of the assignment of d-d transitions in trigonal bipyramidal coppe