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1. The ADPs for the solvent water molecules are large- please check your mode. Also consider the value of adding calculated H atoms to these. 2. Compound 3 : The ADPs for O4 and O5 are large and for O4 there is a Hirshfeld Test error relating to the bond with Cd- please check your model for these atoms. ÉÏÃæÊÇÉó¸åÈËÌáµÄÒâ¼û£¬²»ÖªµÀ¸ÃÈçºÎÐ޸ģ¬Çë¶®ÐÞ¾§ÌåµÄ´óÏÀ°ï棬 ·Ç³£¸Ðл£¡£¡£¡ |
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