【摘 要】
：
Structures, energies and vibrational frequencies have been calculated for hollow cage clusters N28, B4N24, B12N16, and B16N12 with Td symmetry using ab initio
【出 处】
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Chinese Journal of Chemistry
论文部分内容阅读
Structures, energies and vibrational frequencies have been calculated for hollow cage clusters N28, B4N24, B12N16, and B16N12 with Td symmetry using ab initio quantum mechanical methods at the RHF/3-21G level. Each species is predicted to be both chemically and kinetically stable. Skeletal polyhedrons of all considered boron nitride hollow cage clusters are constructed from 5- and 6-membered rings.
Structures, energies and vibrational frequencies have been calculated for hollow cage clusters N28, B4N24, B12N16, and B16N12 with Td symmetry using ab initio quantum mechanical methods at the RHF / 3-21G level. Each species is predicted to be both chemically and kinetically stable Skeletal polyhedrons of all considered boron nitride hollow cage clusters are constructed from 5- and 6-membered rings.
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