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The interconversions between isomers with the same spin multiplicity of neutral B6 and charged B6− and B6+ clusters have been investigated at the B3LYP/6-311+G* level of theory, including determination of the minimum energy pathways with transition states connecting the corresponding reactants and products. In dynamic calculations, 26 isomers were optimized, including 11 novel isomers. In order...
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