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Ab Initio Study of the Electronic Structure and Bonding of Aluminum Nitride †

✍ Scribed by Kalemos, Apostolos; Mavridis, Aristides

Book ID
127054188
Publisher
American Chemical Society
Year
2007
Tongue
English
Weight
250 KB
Volume
111
Category
Article
ISSN
1089-5639

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✍ A.B. Sannigrahi; P.K. Nandi; P.von R. Schleyer 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 542 KB

The ground state electronic structures and dissociation energies ofthe dialkali halide cations MtM2X+ (M,, M, = Li, Na; X= F, Cl) have been calculated at the HF and post-HF (MPn) levels using a variety of basis sets. The calculated values are in good agreement with the corresponding experimental dat