²é¿´: 1156  |  »Ø¸´: 8
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

lingchiyu

Òø³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿-ÕÒÍÑÇâ¹ý¶É̬

Óøß˹ÒÔÏÂÃüÁîÕÒ̼Á´ÍÑÇâµÄ¹ý¶É̬
opt=(maxcyc=200,TS,noeigen,calcfc), freq, b3lyp/6-31G** scfcyc=500
µ«½á¹û×ÜÊÇÇâÓֻص½Ì¼ÉÏ
Çë¸ßÈËÖ¸µã£¡¿´¸ÃÈçºÎ½â¾ö£¿


[ Last edited by lingchiyu on 2008-9-16 at 14:19 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lingchiyu

Òø³æ (СÓÐÃûÆø)

лл¥ÉÏ£¡µ«ÊÇÈÃH´Ó±È½ÏÔ¶µÄµØ·½ÂýÂý»Øµ½TSÉÏ£¬ÕâÑùµÄºÏÀíÂð£¿Çë½âÊÍÒ»ÏÂÆä²Ù×÷ºÏÀíÐÔ¡£
3Â¥2008-09-16 14:21:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

spkeey

½ð³æ (ÕýʽдÊÖ)

½«H ÓëC ¾àÀëÀ­Ô¶£¬Òª±ÈÏëÏóÖеĹÀ¼ÆTs½ÏÔ¶¡£ÈÃH´Ó±È½ÏÔ¶µÄµØ·½ÂýÂý»Øµ½TSÉÏ¡£
SPKEEY
2Â¥2008-09-16 11:30:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

spkeey

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
jghe(½ð±Ò+2,VIP+0):лл²ÎÓëÌÖÂÛ£¬»¶Ó­³£À´¼ÆËã°æ
ºÏÀí£¬ TsÓÅ»¯µÃµ½µÄÖ»ÊÇÊÆÄÜÃæÉϵÄפµã¡£ ²»Ò»¶¨ÊÇts
ts ¶¼ÐèÒªIRcÑéÖ¤£¬Èç¹û IRC¶¼Ö¤Ã÷ÁËÊǵ쬾ÍûÓÐÎÊÌâ¡£

Áí£¬Äã˵ÓÅ»¯»áµôÍùC·½Ïò¡£ËµÃ÷ÄãÓÅ»¯µÄµãÀëC-HÐγɵÄÄÜÁ¿×îµÍµã£¨Ò²ÊÇפµã£©±È¹ý¶É̬£¨×¤µã£©½ü£¬ËùÒÔÄãÒªÉÔ΢À­Ô¶µãÊÔÊÔ¡£

»¹Óиö¿ÉÄÜÓаïÖú calall

[ Last edited by spkeey on 2008-9-16 at 14:58 ]
SPKEEY
4Â¥2008-09-16 14:43:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lingchiyu

Òø³æ (СÓÐÃûÆø)

Õæ³ÏµÄ¸Ðл spkeey  £¡£¡£¡
5Â¥2008-09-16 21:15:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 8rmuugja8q 2026-02-22 7/350 2026-02-23 09:44 by w4l55oybr1
[¿¼ÑÐ] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 khieu8v8m0 2026-02-22 8/400 2026-02-23 09:35 by w4l55oybr1
[ÂÛÎÄͶ¸å] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 khieu8v8m0 2026-02-22 8/400 2026-02-23 09:29 by w4l55oybr1
[¿¼ÑÐ] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +5 usprnugpzw 2026-02-21 11/550 2026-02-23 09:24 by w4l55oybr1
[½Ìʦ֮¼Ò] ΪʲôÖйú´óѧ¹¤¿Æ½ÌÊÚÃÇË®ÁËÄÇô¶àËùνµÄ¶¥»á¶¥¿¯£¬µ«»¹ÊÇ×ö²»³öÓîÊ÷»úÆ÷ÈË£¿ +5 »¶ÀÖËÌÒ¶Ýè 2026-02-21 8/400 2026-02-23 09:19 by »¶ÀÖËÌÒ¶Ýè
[ÂÛÎÄͶ¸å] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 w89i99eaeh 2026-02-22 5/250 2026-02-23 08:04 by w4l55oybr1
[²©ºóÖ®¼Ò] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 khieu8v8m0 2026-02-22 6/300 2026-02-23 07:59 by w4l55oybr1
[¿¼²©] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 khieu8v8m0 2026-02-22 4/200 2026-02-23 06:46 by jsjzfl
[¹«Åɳö¹ú] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 khieu8v8m0 2026-02-22 5/250 2026-02-23 06:29 by w4l55oybr1
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 khieu8v8m0 2026-02-22 8/400 2026-02-23 06:24 by w4l55oybr1
[¿¼²©] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +5 3dfhjxgsh7 2026-02-22 6/300 2026-02-23 02:04 by 5jlh3qtdvx
[½Ìʦ֮¼Ò] °æÃæ·Ñ¸Ã½»Âð +7 Æ»¹ûÔÚÄÄÀï 2026-02-22 8/400 2026-02-22 22:37 by otani
[»ù½ðÉêÇë] ÃæÉÏ¿ÉÒÔ³¬¹ý30Ò³°É£¿ +4 °¢À­¹±aragon 2026-02-22 4/200 2026-02-22 21:22 by ɽÎ÷Ðü¿ÕË¿ÕÐüÎ
[ÂÛÎÄͶ¸å] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 usprnugpzw 2026-02-21 6/300 2026-02-22 19:48 by w89i99eaeh
[¿¼ÑÐ] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 3dfhjxgsh7 2026-02-22 4/200 2026-02-22 16:52 by khieu8v8m0
[ÕÒ¹¤×÷] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 usprnugpzw 2026-02-22 3/150 2026-02-22 16:37 by khieu8v8m0
[¹«Åɳö¹ú] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 usprnugpzw 2026-02-21 4/200 2026-02-22 16:27 by khieu8v8m0
[»ù½ðÉêÇë] ¡°ÈËÎÄÉç¿Æ¶øÂÛ£¬Ðí¶àѧÊõÑо¿»¹Ã»ÓдﵽÃñ¹úʱÆÚµÄˮƽ¡± +4 ËÕ¶«ÆÂ¶þÊÀ 2026-02-18 5/250 2026-02-22 16:07 by liangep1573
[»ù½ðÉêÇë] ʲôÊÇÈËÒ»Éú×îÖØÒªµÄ£¿ +4 ˲ϢÓîÖæ 2026-02-21 4/200 2026-02-22 11:44 by huagongfeihu
[»ù½ðÉêÇë] ½ñÄê´ºÍíÓм¸¸ö½ÚÄ¿ºÜ²»´í£¬µãÔÞ£¡ +11 ˲ϢÓîÖæ 2026-02-16 12/600 2026-02-21 21:14 by lq493392203
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û