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Electronic Structures and Energetics in the CuX and Cu 2 X Series (X = O, S, Se, Te, Po)

✍ Scribed by Mahé, Loïc; Boughdiri, Salima Friha; Barthelat, Jean-Claude


Book ID
124065705
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
165 KB
Volume
101
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


The electronic structure of X3, X = O, S
✍ Harold Basch 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 527 KB

The electronic and geometrical structural properties of the group VIA trimers, Os, S,, Se3 and Tel in their ground and lowestenergy anion states have been calculated using an ab initio complete active space (CAS) MCSCF method with a double-zeta+polarization Gaussian basis set. Compact effective pote