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ÔÚXSHellÄÚ¼ÓÇâÒ²²»ÐУ¬Ìáʾ£ºNot Enough information to correctly determine hydrogen position(s) for the following atom(s): C15

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ljmmarise

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triiawypm: ½ð±Ò+10, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸, ¶Ï¿ªPd-C¼Ó²»ÁËÇ⣬¿ÉÒÔÏȰÑC15ºÍ¸½½üµÄCÁ¬ÆðÀ´£¬¼ÓÇ⣬¶Ï¿ª£¬ÔÙÁ¬Pd-C£¬¾«ÐÞºóHµÄλÖþͶÔÁË¡£ 2013-11-13 08:23:44
½¨ÒéÄã°´ÕÕÏÂÃæµÄ·½·¨ÔÚxpÖÐÊÔÊÔ£º

undo Pd(Ô­×Ó±àºÅ£©   C15
hadd C15 3
link  Pd(Ô­×Ó±àºÅ£©   C15
file a.ins
exit
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2Â¥2013-11-12 18:34:19
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triiawypm

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2Â¥: Originally posted by ljmmarise at 2013-11-12 18:34:19
½¨ÒéÄã°´ÕÕÏÂÃæµÄ·½·¨ÔÚxpÖÐÊÔÊÔ£º

undo Pd(Ô­×Ó±àºÅ£©   C15
hadd C15 3
link  Pd(Ô­×Ó±àºÅ£©   C15
file a.ins
exit
È»ºóÔÙ¾«ÐÞ

лл°¡¡£ÄãµÄÒâ˼ÊǰÑPd-C¼üÏȶϿª£¬¼ÓÇâÈ»ºóÔÙÁ¬ÉÏ£¿
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ÎÒÒÔǰ½â¹ý¼¸¸öÀàËÆµÄ¾§Ì壬ҲÓÐPd-C¼ü£¬²¢Ã»ÓгöÏÖ¹ýÕâÑùµÄÎÊÌâ°¡£¬ËüµÄÌáʾ£ºcannot generate type 3 for atom C15 which makes 1 bonds**ÊÇʲôÒâ˼°¡£¿ÒѾ­ÓÐÒ»¸ö¼üÁË£¬²»ÕýÊÇÓ¦¸Ã¿ÉÒÔÔÙ¼ÓÈý¸öÇâÂð£¿
3Â¥2013-11-12 21:26:51
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triiawypm

Òø³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by ljmmarise at 2013-11-12 18:34:19
½¨ÒéÄã°´ÕÕÏÂÃæµÄ·½·¨ÔÚxpÖÐÊÔÊÔ£º

undo Pd(Ô­×Ó±àºÅ£©   C15
hadd C15 3
link  Pd(Ô­×Ó±àºÅ£©   C15
file a.ins
exit
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