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Alejandro Solís

    Alejandro Solís

    The structure and energetics of the n-butonium ion, the protonated form of n-butane, were computed at the MP4SDTQ(fc)/6-311++G**//MP2(full)/6-31G** level. Eleven stable structures were found for the n-butonium ion, following the stability... more
    The structure and energetics of the n-butonium ion, the protonated form of n-butane, were computed at the MP4SDTQ(fc)/6-311++G**//MP2(full)/6-31G** level. Eleven stable structures were found for the n-butonium ion, following the stability order 2-C-n-butonium > 1-C-n-butonium > ...