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Theoretical Studies of B 2 Li n ( n = 1−4)

✍ Scribed by Srinivas, Gantasala Naga; Hamilton, Tracy P.; Boatz, Jerry A.; Lammertsma, Koop


Book ID
127369277
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
87 KB
Volume
103
Category
Article
ISSN
1089-5639

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Ab initio theoretical studies on N28, B4
✍ 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