𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Stability, Metastability, and Unstability of Three-Electron-Bonded Radical Anions. A Model ab Initio Theoretical Study

✍ Scribed by Braïda, Benoît; Thogersen, Lea; Wu, Wei; Hiberty, Philippe C.


Book ID
121420153
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
199 KB
Volume
124
Category
Article
ISSN
0002-7863

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Ab initio theoretical study of the elect
✍ 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

Ab initio theoretical study of the elect
✍ A.B. Sannigrahi; T. Kar; P.K. Nandi 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 510 KB

Equilibrium structural parameters and dissociation energies of the bihalide ions, MXY-(M = H, Li, Na; X, Y = F, C1) have been calculated at the HF and post-HF (MPn) levels using 6-31 + G\* and 6-311 + G\* basis sets. All the species are predicted to be linear, and the calculated quantities are in go