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blacktea115

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1.Even if long, in the case of Copper  the O1-Cu distance   d < 2.60 is an interactive (or at least border-line) distance and should be
included in the discussion, and the coordination could (and should!) be compared with similar ones in the literature.
ÎÒµÄO1-Cu ÊÇ2.59,±à¼­ÏëÒªÎұȽÏͬÀàµÄCu-O¼ü³¤Êǰɣ¬ÔÚCIFÎļþÀﲢûÓÐÕâ¸ö¼ü³¤°¡£¬»­³öÀ´µÄͼÀïҲûÓÐÕâ¸ö¼ü¡£platonÈí¼þÀïºÃÏñÁ¬ÉÏÁË¡£
d < 2.60 is an interactive (or at least border-line) distance and should be ncluded in the discussion,Õ߾仰ÊÇʲôÒâ˼¡£

2.Nothing is said about  the non-bonding interactions which, even if not strong (only non-conventional H-bonds are present) might have an important influence both in the molecular as in the packing conformations.
On the other hand Fig 2, without any discussion is absolutely irrelevant. In addition, as drawn  (in a fancy pespective fashion) the figure does not provide much insight on what is going on. A better view would be to show a parallel projection from infinity, so that a complete overlap of molecules occur, thus clarifying the view and allowing to show the essentials.
Îҵľ§ÌåûÓÐÇâ¼ü£¬±à¼­ÏëÈÃÎÒÌÖÂÛʲô¡£Fig2ÎÒ»­µÄÊǸö¾§±¨¶Ñ»ýͼ£¬µ«ÊÇÎÒûÓÐÃèÊöËü£¬ÊDz»ÊÇÒªÎÒÃèÊöһϡ£
In addition, as drawn  (in a fancy pespective fashion) the figure does not provide much insight on what is going on. A better view would be to show a parallel projection from infinity, so that a complete overlap of molecules occur, thus clarifying the view and allowing to show the essentials.Õâ¸ö¶«Î÷±à¼­ÏëÈÃÎÒÔõô»­°¡¡£

Çë¾§Ìå´ïÈËÖ¸µãһϣ¬Ð¡Ã÷dz£¸Ðл£¡

[ Last edited by blacktea115 on 2010-11-16 at 00:17 ]
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liyaoman4

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µÛ·ò:¸ÐлÄúµÄ»Ø¸´£¡ 2010-11-16 21:13:41
blacktea115(½ð±Ò+1): 2010-11-28 22:31:41
d < 2.60 is an interactive (or at least border-line) distance and should be included in the discussion,Õ߾仰ÊÇʲôÒâ˼¡£


±¾ÎÄÀ´×Ô: Сľ³æÂÛ̳ http://muchong.com/bbs/viewthread.php?tid=2598382&fpage=1  Òâ¼ûÊÇÄãµÄCu--O¼ü³¤Ð¡ÓÚ2.6   ÀíÂÛÉÏÄãÒª¶Ô¸Ã¼ü½øÐзÖÎöÌÖÂÛ£¬²¢ÒýÓÃÎÄÏ×¶ÔÕÕÂÛÖ¤£¬Èç¹û²»½âÊÍ£¬¸ø³öwhy£¡
2Â¥2010-11-16 11:25:13
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jiangqibai

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Cu-O¼ü³¤¶Ì£¬Ó¦¸ÃÓÐÏ໥×÷Óà ÐèÒª¿¼ÂÇ£¡

µÛ·ò:¸ÐлÄúµÄ»Ø¸´£¡ 2010-11-16 21:13:47
blacktea115(½ð±Ò+1): 2010-11-28 22:31:48
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3Â¥2010-11-16 19:46:32
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lanmao20

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blacktea115(½ð±Ò+1): 2010-11-28 22:31:54
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