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- W3202395345 abstract "The search and analysis of the ground state, intermediate and transition states of carborane(12) thermal isomerization was performed by means of quantum-chemistry methods using B3LYP/6-311+G(d,p) and M062X/6-311+G(d,p) functionals. The framework rearrangement mechanisms such as the triangular face rotation, the pentagonal pyramid rotation, as well as mechanisms via cubeoctahedral and anticubeoctahedral transition states were studied." @default.
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- W3202395345 date "2013-02-01" @default.
- W3202395345 modified "2023-09-27" @default.
- W3202395345 title "Quantum-chemical study of carborane(12) rearrangement mechanisms" @default.
- W3202395345 hasPublicationYear "2013" @default.
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