±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1217  |  »Ø¸´: 10

lei234

гæ (СÓÐÃûÆø)


[½»Á÷] irc ¼ÆËãûÓнá¹û

¸ß˹09¼ÆËãirc£¬Õý³£½áÊøÁË£¬µ«Ã»Óнá¹û³öÀ´£¬Çó´óϺָµ¼~~~
»Ø¸´´ËÂ¥

» ±¾Ìû¸½¼þ×ÊÔ´Áбí

  • »¶Ó­¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
    ±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com
  • ¸½¼þ 1 : 193f-9-opt-irc-r.log
  • 2012-09-08 10:34:52, 286.64 K

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¹ý¶É̬¼ÆËã

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
»ØÌûÖö¥ ( ¹²ÓÐ1¸ö )

taoyunwen

½û³æ (СÓÐÃûÆø)

¡ï
lei234(½ð±Ò+1): лл²ÎÓë
±¾ÌûÄÚÈݱ»ÆÁ±Î

2Â¥2012-09-08 12:46:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yangwenpeng

гæ (ÕýʽдÊÖ)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÊDz»ÊÇÄãµÄÊäÈëÎļþ²»ÕýÈ·£¬
5Â¥2012-09-08 18:26:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lishijunzong

Ìú¸Ëľ³æ (ÕýʽдÊÖ)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Õâ¸öºÍÄãÊäÈëÎļþÓкܴóµÄ¹ØÏµ£¬Äã°ÑÉèÖõIJÎÊý¸Ä³ÉĬÈÏÊÔÒ»ÏÂ
6Â¥2012-09-09 08:49:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lei234

гæ (СÓÐÃûÆø)


¸ã²»¶®£¬ÎÒÖØÐÂËãÁËÏÂÆµÂÊ£¬È»ºó¾ÍÓÐÁË£¬¿É²»ÊÇÎÒÒªµÄ·´Ó¦ÎïÁË£¬±íʾÉ˲»Æð¡£¡£¡£
7Â¥2012-09-09 10:35:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

·Å·ÉÐÄÇé

Ìú³æ (СÓÐÃûÆø)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÄãÕý·´Á½¸ö·½Ïò¶¼×öÁËÂð£¿ÔÙÊÔÊÔÕâ¸ö£º
#p IRC=(forward,maxpoint=12,stepsize=15,rcfc,maxcyc=200) b3lyp/6-31g iop(6/7=3) gfinput
#geom=check guess=read
ÎÒÕâÑùËãÒ»¸öforwardÒ»¸öreverseÒ»°ã¶¼»áµÃµ½Á½¸ö²»Í¬µÄcomplex¡£Òª²»¾ÍÊÇÄãµÄ¹ý¶É̬ÓÐÎÊÌâ
9Â¥2012-09-09 14:43:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lei234

гæ (СÓÐÃûÆø)


ÒýÓûØÌû:
9Â¥: Originally posted by ·Å·ÉÐÄÇé at 2012-09-09 14:43:19
ÄãÕý·´Á½¸ö·½Ïò¶¼×öÁËÂð£¿ÔÙÊÔÊÔÕâ¸ö£º
#p IRC=(forward,maxpoint=12,stepsize=15,rcfc,maxcyc=200) b3lyp/6-31g iop(6/7=3) gfinput
#geom=check guess=read
ÎÒÕâÑùËãÒ»¸öforwardÒ»¸öreverseÒ»°ã¶¼»áµÃµ½Á½¸ö²» ...

ÍÛ£¡Ð³涼ÕâôÄ度
10Â¥2012-09-13 16:10:18
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xiemin8761

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÔÎ ÎÒÏÖÔÚ¾ÍÓöµ½Õâ¸öÎÊÌ⣬¥Ö÷ÊÇÔõô½â¾öµÄ°¡£¿Çë´Í½Ì£¡£¡ÎÒÓöµ½ºÃ¼¸¸öÁË£¬Óм¸¸öËãÁ˺ü¸ÌìÁ˶¼ÊÇÖ»ËãÁËÁ½¸öµã²»ÖªµÀɶԭÒò°¡£¬ÎÒÔÚСľ³æÉÏÎÊҲûÈË´ðÎÒ¡£
11Â¥2012-11-01 18:12:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
mailinator3Â¥
2012-09-08 16:12   »Ø¸´  
lei234(½ð±Ò+1): лл²ÎÓë
gcworm4Â¥
2012-09-08 18:11   »Ø¸´  
lei234(½ð±Ò+1): лл²ÎÓë
2012-09-09 14:31   »Ø¸´  
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ lei234 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Î人Àí¹¤£¬×Ü·Ö321£¬Ó¢Ò»Êý¶þ£¬ÇóÀÏʦÊÕÁô¡£ +5 nnnnnnn5 2026-03-25 5/250 2026-03-27 04:42 by wxiongid
[¿¼ÑÐ] Çóµ÷¼ÁÍÆ¼ö ²ÄÁÏ 304 +4 ºÉ°üµ°hyj 2026-03-26 4/200 2026-03-27 00:39 by wxiongid
[¿¼ÑÐ] 0703»¯Ñ§338Çóµ÷¼Á£¡ +5 Zuhui0306 2026-03-26 6/300 2026-03-26 23:42 by 381988266
[¿¼ÑÐ] ¡¾Ë«Ò»Á÷ԺУÐÂÄÜÔ´¡¢»·¾³²ÄÁÏ£¬²ÄÁϼӹ¤ÓëÄ£ÄâÕÐÊÕ´óÁ¿µ÷¼Á¡¿ +4 Higraduate 2026-03-22 8/400 2026-03-26 20:34 by Higraduate
[¿¼ÑÐ] ѧ˶274Çóµ÷¼Á +3 LiÀîÓã 2026-03-26 3/150 2026-03-26 18:32 by Ìá³ö·½·¨µÄÌá³öº
[¿¼ÑÐ] »úеѧ˶310·Ö£¬ÊýÒ»Ó¢Ò»£¬Ò»Ö¾Ô¸211±¾¿ÆË«·ÇÕÒµ÷¼ÁÐÅÏ¢ +3 @357 2026-03-25 3/150 2026-03-26 16:34 by by.MENG
[¿¼ÑÐ] ±±¿Æ281ѧ˶²ÄÁÏÇóµ÷¼Á +17 tcxiaoxx 2026-03-20 19/950 2026-03-26 16:04 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 299Çóµ÷¼Á +4 15188958825 2026-03-25 4/200 2026-03-25 22:56 by 418490947
[¿¼ÑÐ] 359Çóµ÷¼Á +3 ÍõÁ˸öéª 2026-03-25 3/150 2026-03-25 12:50 by Dyhoer
[¿¼ÑÐ] Çóµ÷¼Á323²ÄÁÏÓ뻯¹¤ +4 1124361 2026-03-24 4/200 2026-03-25 11:19 by shulmg
[¿¼ÑÐ] 086003ʳƷ¹¤³ÌÇóµ÷¼Á +6 íµíµ111 2026-03-24 6/300 2026-03-25 10:29 by 3Strings
[¿¼ÑÐ] ÉϺ£µçÁ¦´óѧ²ÄÁÏ·À»¤ÓëвÄÁÏÖØµãʵÑéÊÒÕÐÊÕµ÷¼ÁÑо¿Éú£¨²ÄÁÏ¡¢»¯Ñ§¡¢µç»¯Ñ§£¬»·¾³£© +4 ÎÒ°®Ñ§µç³Ø 2026-03-23 4/200 2026-03-25 00:59 by 1027_324
[¿¼ÑÐ] 080500Çóµ÷¼Á +3 zzzzfan 2026-03-24 3/150 2026-03-24 16:38 by barlinike
[¿¼ÑÐ] 341Çóµ÷¼Á(Ò»Ö¾Ô¸ºþÄÏ´óѧ070300) +5 ·¬ÇÑÍ·--- 2026-03-22 6/300 2026-03-23 23:45 by Txy@872106
[¿¼ÑÐ] 269Çóµ÷¼Á +4 ÎÒÏë¶ÁÑÐ11 2026-03-23 4/200 2026-03-23 21:25 by pswait
[¿¼ÑÐ] ÉúÎïѧһ־Ը985£¬·ÖÊý349Çóµ÷¼Á +6 zxts12 2026-03-21 9/450 2026-03-23 18:37 by macy2011
[¿¼ÑÐ] 303Çóµ÷¼Á +5 °²ÒäÁé 2026-03-22 6/300 2026-03-22 12:46 by ËØÑÕÇã³Ç1988
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏ´ó£¬0703»¯Ñ§£¬·ÖÊý336£¬Çóµ÷¼Á +3 ÊÕµ½VS 2026-03-21 3/150 2026-03-21 18:42 by ѧԱ8dgXkO
[¿¼ÑÐ] Çóµ÷¼Á +3 .m.. 2026-03-21 4/200 2026-03-21 16:25 by barlinike
[¿¼ÑÐ] 261ÇóBÇøµ÷¼Á£¬¿ÆÑо­Àú·á¸» +3 Å£Ä̺Üæ 2026-03-20 4/200 2026-03-20 19:34 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û