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An MS Xα and ETS study of the influence of “d” orbitals on the electron affinities of thio-substituted benzenes

✍ Scribed by Maurizio Guerra; Giuseppe Distefano; Derek Jones; Francesco Paolo Colonna; Alberto Modelli

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
564 KB
Volume
91
Category
Article
ISSN
0301-0104

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📜 SIMILAR VOLUMES

Jahn-Teller distortion and electronic st
Jahn-Teller distortion and electronic structure of the O− center in CaF2: an MS Xα study
✍ Jacques Weber; Hans Bill 📂 Article 📅 1977 🏛 Elsevier Science 🌐 English ⚖ 381 KB

The O-ccntcr in CaFa is invcstisatcd by performing multiple scattcrirq Xa calculations on the (Ore)'-cluster. In agreement with cxpcrimcnt, a strong Jahn-Teller distortion of tctrqondl symmetry is prcdictcd. Finally the ground state electronic structure of the cluster is discussed.