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Ionic N–B–N- and B–N–B-Substituted Benzene Analogues: A Theoretical Analysis

✍ Scribed by AlKaabi, Khalid; Dasari, Prasad L. V. K.; Hoffmann, Roald

Book ID
126262460
Publisher
American Chemical Society
Year
2012
Tongue
English
Weight
779 KB
Volume
134
Category
Article
ISSN
0002-7863

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✍ Jiang Xin-Tian; Hu Xu-Guang; Li Qian-Shu 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 484 KB

Structures, energies and vibrational hquencies have been calculated for hollow cage clusters N28, B4N24, B12N16, and B16Nl2 with Td symmetry using ab initw quantum mechanical methods at the RHF/3-21G level. Each species is predicted to be both chemically and kinetically stable. Skeletal polyhedrons