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7Â¥2009-12-02 16:52:57
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3Â¥2009-12-02 08:49:43
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ллÄú¡£ ÊÔÊÔÁ˰ÑÔÀ´µÄAFIX 12 ¸Ä³É AFIX 66£¬ refineµÄʱºò³ö´í¡£¹þ¹þ£¬ÓÖ¸ÄÓÃflatÃüÁî×öÁËÏÞÖÆ¡£ÄǸöH»¹ÊÇÍáÏòÒ»±ß£¬ºóÀ´growÁËһϣ¬¹þ£¬ÔÀ´ÄÇÊÇÒ»¸öÎÞÓõIJз塣ɾÁ˾ͺÃÀ²¡£°¦£¬silly°¡¡£ »¹ÓиöÎÊÌâÇë½ÌÄú£ºÎÒµÄguest molecuÊÇDMF£¬¿ÉÊDz»ÖªµÀΪʲô ×îºó¶¨ÏÂÀ´µÄGMÊÇÒ»¸öNÔ×ÓÖÐÐĺÍÒ»¸öC£¬Á½¸öÈ©»ùÁ¬½ÓµÄ·Ö×Ó¹¹ÐÍ¡£ÎÒÀ§»óÁË£¬ÄѵÀÊÇDMFÖеÄÈ©»ùCHOÎÞÐòÀ²£¿ °Ñ×îºórefine µÄDMF½á¹û½ÚÑ¡ÈçÏ£¬ÇëÄú·ÖÎöһϡ£Ð»Ð»£¡ DMF»¯Ñ§Ê½: (CH3)2-N-CHO ¸Ã½á¹¹ÖзÖ×Ó»¯Ñ§Ê½£º C(10)H3-N(4)-(C(11)HO(3))2 C10 1 0.500000 0.212445 0.250000 10.50000 0.05148 0.02946 = 0.03196 0.00000 0.02282 0.00000 AFIX 137 H10A 2 0.526737 0.182665 0.211998 10.50000 -1.50000 H10B 2 0.430647 0.182665 0.236001 10.50000 -1.50000 H10C 2 0.542616 0.182665 0.302001 10.50000 -1.50000 AFIX 0 C11 1 0.532637 0.409438 0.197246 11.00000 0.04554 0.02261 = 0.03717 0.00390 0.02542 0.00396 H11 2 0.568576 0.357011 0.173506 11.00000 0.07765 N4 3 0.500000 0.346967 0.250000 10.50000 0.02565 0.02662 = 0.03143 0.00000 0.01509 0.00000 O3 4 0.535328 0.519472 0.192540 11.00000 0.11588 0.13332 = 0.10308 -0.00367 0.06282 0.00126 [ Last edited by Inorg@USF on 2009-12-2 at 15:40 ] |

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