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Inorg@USF木蟲(chóng) (正式寫(xiě)手)
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[交流]
【請(qǐng)教】DMF的醛基-CHO上面的氫如何固定? 已有4人參與
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| H位置是利用殘峰加上去的 ,搖擺不定,用DFIX試了試,不成。請(qǐng)高手指教.... |

至尊木蟲(chóng) (著名寫(xiě)手)
木蟲(chóng) (正式寫(xiě)手)

至尊木蟲(chóng) (職業(yè)作家)
木蟲(chóng) (正式寫(xiě)手)

木蟲(chóng) (正式寫(xiě)手)
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好主意,最近得了下面這句話,能不能幫忙解讀一下,我看圖能看明白,里面的意思有點(diǎn)懵懵懂懂: PART -1. As the second site of each disordered atom can be calculated directly from the positions of the atoms of the first component via the symmetry operator of the respective twofold axis, it is not necessary to have two parts in the .ins file. The negative part number suppresses the generation of special position constraints, and bonds to symmetry-related from the connectivity table. |

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