Molecular and electronic structures of MX, ( M = Se, Te ; X = F , Cl) were studied by the ab initio method with extended basis sets. The study is aimed at sup- plementing cery scarce experimental information about these molecules. The results indicate that all molecules favour distorted disphenoidal
โฆ LIBER โฆ
Electronic structure of selenium- and tellurium-clusters
โ Scribed by J. Becker; K. Rademann; F. Hensel
- Book ID
- 105202119
- Publisher
- Springer
- Year
- 1991
- Tongue
- English
- Weight
- 381 KB
- Volume
- 19
- Category
- Article
- ISSN
- 1434-6060
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The electronic properties of quasi-one-dimensional models for trigonal selenium and tellurium are studied using the ab initio Hartree-Fock scheme with non-local exchange. The core electrons are replaced by effective core potentials. We determine the energy bands of the single helices and compare our