±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1150  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

caozf

½ð³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿ÓÅ»¯½á¹û ÒÑÓÐ6È˲ÎÓë

ÇëÎÊ´ó¼ÒÒ»¸öÎÊÌâ ¾ÍÊÇÎÒÓÃØÍÊÆ»ù×éÓÅ»¯Ò»¸ö½ðÊô߲߸£¬È»ºó´Ó½á¹ûÀ´¿´£¬Ó¦¸ÃÊǵõ½Îȶ¨½á¹¹ÁË£¬¿ÉÊÇΪʲô½ðÊôºÍÖÜΧµÄÔ­×Ó²»³É¼üÄØ£¬ÎÒµÄÊäÈëÃüÁîÊÇÕâÑùµÄ  # opt freq b3lyp/genecp pop=nbo geom=connectivity

C H 0
6-31g*
****
N 0
6-311+g*
****
Co 0
Lanl2dz
****

Co 0
Lanl2dz
               
   ½á¹û
    ÊÇʲôԭÒòÄØ£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

liuzhengjun0427

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï
heyo_123(½ð±Ò+1):лл²ÎÓ룡£¡ 2010-06-14 08:15:45
Â¥ÉϵķÖÎöµÃÊ®·ÖÓеÀÀí
6Â¥2010-06-13 21:08:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

043114076

ľ³æ (ÕýʽдÊÖ)

¡ï
heyo_123(½ð±Ò+1):¹ÄÀø½»Á÷£¡£¡ 2010-06-13 11:03:16
caozf(½ð±Ò+2): 2010-06-13 13:32:07
ÆäʵÕâ¸öÎÊÌâÖ»ÊÇgviewµÄÏÔʾÎÊÌ⣬±¾À´³É¼üÔÚÁ¿×Ó»¯Ñ§Àï¾ÍÊÇÒ»¸ö¾­ÑéµÄ˵·¨
Ö±½Ó±È½Ï½á¹¹²ÎÊý¾Í¿ÉÒÔÁË
2Â¥2010-06-13 10:57:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

caozf

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by 043114076 at 2010-06-13 10:57:16:
ÆäʵÕâ¸öÎÊÌâÖ»ÊÇgviewµÄÏÔʾÎÊÌ⣬±¾À´³É¼üÔÚÁ¿×Ó»¯Ñ§Àï¾ÍÊÇÒ»¸ö¾­ÑéµÄ˵·¨
Ö±½Ó±È½Ï½á¹¹²ÎÊý¾Í¿ÉÒÔÁË

ÄÇΪʲôÎÒÓÃ6-31G*×ö»ù×éËã³öÀ´¾ÍÓмüÏÔÊ¾ÄØ£¬Ð»Ð»£¡
3Â¥2010-06-13 13:31:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

043114076

ľ³æ (ÕýʽдÊÖ)

¡ï
heyo_123(½ð±Ò+1):лл²ÎÓ룡£¡£¡ 2010-06-13 17:53:09
Èç¹ûÒª½ÏÕæµÄ»°£¬Äã¿ÉÒÔÁ¿Ò»ÏÂÁ½¸ö½á¹ûÖÐCo¡ªNÖ®¼äµÄ¾àÀë¿´Ò»ÏÂÇø±ð¡£
4Â¥2010-06-13 13:58:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á +9 hanamiko 2026-03-27 9/450 2026-03-30 20:10 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏ¿ª´óѧ0710ÉúÎïѧ359Çóµ÷¼Á +5 ÍÃÍÃÍÃ111223314 2026-03-29 7/350 2026-03-30 18:29 by ÍÃÍÃÍÃ111223314
[¿¼ÑÐ] 332Çóµ÷¼Á +6 @MZB382400 2026-03-28 6/300 2026-03-30 16:57 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 303Çóµ÷¼Á +7 DLkz1314. 2026-03-30 7/350 2026-03-30 16:05 by shuang5186
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§0703×Ü·Ö337Çóµ÷¼Á +6 niko- 2026-03-27 6/300 2026-03-30 10:25 by herarysara
[¿¼ÑÐ] 085404Çóµ÷¼Á£¬×Ü·Ö309£¬±¾¿Æ¾­Àú½ÏΪ·á¸» +6 À´²Æaa 2026-03-25 6/300 2026-03-30 09:48 by ÇຣСÎ÷Å£
[¿¼ÑÐ] 289Çóµ÷¼Á +5 BrightLL 2026-03-29 5/250 2026-03-29 17:24 by zhyzzh
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á +5 hanamiko 2026-03-29 5/250 2026-03-29 16:46 by ѧԱ8dgXkO
[¿¼ÑÐ] 070305¸ß·Ö×Ó»¯Ñ§ÓëÎïÀí 304·ÖÇóµ÷¼Á +12 c297914 2026-03-28 12/600 2026-03-29 16:21 by Serene1974
[¿¼ÑÐ] 329Çóµ÷¼Á +10 Å¥¶÷Ñ© 2026-03-25 10/500 2026-03-29 13:32 by peike
[¿¼ÑÐ] 356Çóµ÷¼Á +3 gysy?s?a 2026-03-28 3/150 2026-03-29 00:33 by 544594351
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çóµ¼Ê¦ÊÕ +9 ÌìÌìºÃÔËÀ´Éϰ¶° 2026-03-24 10/500 2026-03-28 22:17 by chemzp
[¿¼ÑÐ] һ־Ը̫ԭÀí¹¤°²È«¹¤³Ì300·Ö£¬Çóµ÷¼Á +5 0857Çóµ÷¼Á. 2026-03-24 6/300 2026-03-28 22:04 by zhq0425
[¿¼ÑÐ] 266·Ö£¬Çó²ÄÁÏÒ±½ðÄÜÔ´»¯¹¤µÈµ÷¼Á +7 ÍÛºôºßºôºß 2026-03-27 9/450 2026-03-28 12:22 by zllcz
[¿¼ÑÐ] 339Çóµ÷¼Á£¬Ïëµ÷»Ø½­ËÕ +6 ¿¾ÂóÑ¿ 2026-03-27 8/400 2026-03-28 10:40 by ¿¾ÂóÑ¿
[¿¼ÑÐ] 086502»¯Ñ§¹¤³Ì342Çóµ÷¼Á +6 °¢Ò̸´¹Å²»¹ý 2026-03-27 6/300 2026-03-28 07:06 by wangy0907
[¿¼ÑÐ] 286Çóµ÷¼Á +4 lim0922 2026-03-26 4/200 2026-03-27 10:28 by guoweigw
[¿¼ÑÐ] ÇóbÇøÔºÐ£µ÷¼Á +4 ÖÜ56 2026-03-24 5/250 2026-03-25 17:12 by yishunmin
[¿¼ÑÐ] µ÷¼Á +4 13853210211 2026-03-24 4/200 2026-03-24 19:44 by ms629
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼ÁÉú +3 »ÆÁ»Ò»ÃÎǧÄê 2026-03-24 3/150 2026-03-24 17:00 by barlinike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û