טוען...
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...
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| Main Authors: | , |
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| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
Springer-Verlag
2006
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2441500/ https://ncbi.nlm.nih.gov/pubmed/16261296 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s00894-006-0111-5 |
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