±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 525  |  »Ø¸´: 4

sweety0807

гæ (³õÈëÎÄ̳)

[ÇóÖú] ÐÂÈ˼òµ¥ÎÊÌ⣬ϣÍûÓдóÉñ½â´ð

ÏëÎÊÒ»ÏÂ
# opt b3lyp/6-31g(d) geom=connectivityºÍ#p opt b3lyp/6-31g(d) geom=connectivityÓÐÊ²Ã´Çø±ð£¬ÎÒÓÃ# opt b3lyp/6-31g(d) geom=connectivityËãÿ´Î¶¼±¨´í£¬µ«ÊǸijÉ#p opt b3lyp/6-31g(d) geom=connectivity¾ÍûÎÊÌâÁË£¬²»ÖªµÀÕâÁ½¸öÓжà´óÇø±ð£¬¿ÉÒÔͨÓÃÂð£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yanrding

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+2 2012-12-17 17:11:37
Ó¦¸ÃÊÇÍêȫһÑùµÄ£¬Ö»ÊÇ#pÊä³öµÄ¶«Î÷¶àһЩ¶øÒÑ¡£
»ª±±µçÁ¦´óѧ£¨±±¾©£©ÊýÀíѧԺ£¬¼ÆË㻯ѧ£¬Äý¾Û̬ÎïÀí¡£»¶Ó­ºÏ×÷£¡ÕÐ˶ʿ/²©Ê¿Ñо¿Éú£¬ÕÐÀÏʦ¡£
2Â¥2012-12-17 12:11:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luosizuo

½û³æ (СÓÐÃûÆø)

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+2 2012-12-17 17:11:43
±¾ÌûÄÚÈݱ»ÆÁ±Î

3Â¥2012-12-17 12:17:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sweety0807

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
3Â¥: Originally posted by luosizuo at 2012-12-17 12:17:34
#pÊä³öµÄ¶«Î÷ÓÐÖúÓÚÄã´íÎóµÄʱºò·ÖÎö£¬ÄãÉÏÃæËµµÄÁ½Õß¼ÆËãÉÏÍêȫһÑù¡£¿´¿´ÊDz»ÊÇÊäÈëÎļþÄÄÀï¸Ä¹ýÁË

ÄÇÎÒÏëÎÊÒ»ÏÂΪʲ²»¼Ó#p¾Í»á±¨´íÄØ£¿¼ÓÁ˾ͳɹ¦ÁË¡£¡£¡£
4Â¥2012-12-17 12:37:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luosizuo

½û³æ (СÓÐÃûÆø)

±¾ÌûÄÚÈݱ»ÆÁ±Î

5Â¥2012-12-17 13:42:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ sweety0807 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤301·ÖÇóµ÷¼ÁԺУ +15 ´ÌÍ´jk 2026-04-06 16/800 2026-04-06 18:18 by Öí»á·É
[¿¼ÑÐ] 284Çóµ÷¼Á +5 èó@@ 2026-04-06 5/250 2026-04-06 17:59 by Öí»á·É
[¿¼ÑÐ] £¨µ÷¼Á£©Ò»Ö¾Ô¸±¨¿¼¹þ¶û±õ¹¤Òµ´óѧ0857×ÊÔ´Óë»·¾³×¨Òµ378·Ö¿¼Éú +7 ºÝºÝ¼ÓÓÍ 2026-04-05 8/400 2026-04-06 16:52 by momoð©
[¿¼ÑÐ] Çóµ÷¼Á Ò»Ö¾Ô¸Î÷ÄϽ»Í¨´óѧ085701»·¾³¹¤³Ì 282·Ö +9 ¶à¶à°®³Ôºº±¤ 2026-04-04 9/450 2026-04-06 14:14 by lqwchd
[¿¼ÑÐ] 324Çóµ÷¼Á +3 k¿ÉÀÖ 2026-04-05 4/200 2026-04-06 09:54 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸Ö£ÖÝ´óѧ²ÄÁÏÓ뻯¹¤×¨Ë¶£¬Ó¢¶þÊý¶þ342·Ö£¬ÇóÀÏʦÊÕÁô +19 v12abo 2026-04-02 21/1050 2026-04-06 09:29 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] 271·ÖÇóµ÷¼ÁѧУ +12 zph158488£¡ 2026-04-02 13/650 2026-04-05 10:13 by lqwchd
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤306·ÖÕÒµ÷¼Á +12 ²×º£ÇáÖÛe 2026-04-03 13/650 2026-04-04 23:45 by lqwchd
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +8 z1z2z3879 2026-03-31 8/400 2026-04-04 22:08 by hemengdong
[¿¼ÑÐ] 309Çóµ÷¼Á +6 ÁõÁõÁõ1231 2026-04-02 7/350 2026-04-04 13:41 by liucky
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦985£¬326·ÖÇóµ÷¼Á +3 Áõīī 2026-04-03 3/150 2026-04-04 11:16 by ±¯É˵ÄÓóÍ·
[¿¼ÑÐ] 366Çóµ÷¼Á +7 sbdnd 2026-04-03 7/350 2026-04-03 12:40 by cymywx
[¿¼ÑÐ] 085801 ×Ü·Ö275 ±¾¿ÆÐÂÄÜÔ´ Çóµ÷¼Á +19 bradoner 2026-04-01 23/1150 2026-04-03 10:07 by linyelide
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÄÏʦ·¶´óѧ-22408¼ÆËã»ú-292·Ö-Çó»ªÄÏʦ·¶´óѧµ÷¼Á +4 °®¶ÁÊéµÄСöùÓã 2026-04-02 4/200 2026-04-02 18:35 by Çóµ÷¼Ázz
[¿¼ÑÐ] µ÷¼Á +3 ºÃºÃ¶ÁÊé¡£ 2026-04-01 6/300 2026-04-02 15:49 by liumengping
[¿¼ÑÐ] ²ÄÁÏרҵÇóµ÷¼Á +10 ÔÂÔÂÄñľ 2026-04-01 10/500 2026-04-02 12:57 by wxiongid
[¿¼ÑÐ] Ò»Ö¾Ô¸ÏÃÃÅ´óѧ»¯Ñ§¹¤³Ì£¨×¨Ë¶£©-Êý¶þÓ¢¶þ406·Ö-Çóµ÷¼Á +5 Ïô󻯹¤ 2026-04-01 5/250 2026-04-02 10:03 by jp9609
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +6 ÍÃͻͻͻ£¬ 2026-03-31 7/350 2026-04-02 09:06 by coolminer
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©¿¼Ñе÷¼Á +5 Ìúº©º©123425 2026-03-31 5/250 2026-04-01 18:01 by syh9288
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û