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Atomic charges (in atomic unit, a.u.) by the Mulliken, Chelpg, and NBO methods of the epiisopiloturine, epiisopilosine, isopilosine, pilosine and macaubine alkaloids using the theoretical model B3lyp/6-311++G(d,p).

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Figshare2018-06-26 更新2026-04-29 收录
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Atomic charges (in atomic unit, a.u.) by the Mulliken, Chelpg, and NBO methods of the epiisopiloturine, epiisopilosine, isopilosine, pilosine and macaubine alkaloids using the theoretical model B3lyp/6-311++G(d,p).
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2018-06-26
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