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Rearrangements in icosahedral boranes and carboranes revisited
The structure, stability, and intermolecular rearrangements between ortho-, meta-, and para-C(2)B(10)H(12) and [Formula: see text] were investigated using the hybrid density functional B3LYP/6-31G(d) for vibrational frequencies, as well as B3LYP/6-311+G(2d,p) for single-point electronic energies. Th...
| Autores principales: | , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
Springer-Verlag
2006
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2441500/ https://www.ncbi.nlm.nih.gov/pubmed/16261296 http://dx.doi.org/10.1007/s00894-006-0111-5 |