±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 833  |  »Ø¸´: 1

hzfish

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿»ù×é¼Ó¼«»¯º¯ÊýºÍÃÖÈöÊýÊýÓÐûÓйæÔò£¿£¿£¿

6-311G    H-kr       £¨3df,3pd)       ++


ÕâÊÇ˵Ã÷ÊéÖжÔ6-311G»ù×éµÄ˵Ã÷£¬Ç뼫»¯º¯ÊýºÍÃÖÉ¢º¯ÊýÊÇ·ñ¿ÉÒÔËæÒâ×éºÏÄØ£¿
Èç6-311+G(d,p),6-311++G(d,p),6-311++G(3d,p),6-311++G(3d,3p),6-311++G(2d,2p),6-311+G(3fd,p)µÈ¡£

лл£¡£¡£¡£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

quantumor

½ð³æ (ÖøÃûдÊÖ)

¿ìÀÖÍÃ×Ó

hzfish(½ð±Ò+10):·Ç³£¸Ðл£¡ 2010-10-23 11:04:10
ÀíÂÛÉÏÀ´Ëµ£¬¿ÉÒÔËæÒâ×éºÏ¡£µ«¸ü¶àµÄÇé¿öÏ£¬ÊÇÔÚ´óÁ¿Ñо¿½á¹ûͳ¼Æ·ÖÎöµÄ»ù´¡ÉÏÑ¡ÔñºÍʹÓþßÌåµÄ¼«»¯ÓëÃÖÉ¢º¯Êý¡£ÅжÏʹÓÃÊÇ·ñµÃµ±µÄÒ»¸ö·½·¨ÊÇʹÓÃÓÐʵÑéÊý¾Ý¿É×ʱȽϵÄÌåϵ¼ÌÐø¼ÆË㣬ÒÔ¿¼²ìËùÓú¯ÊýµÄÐÎʽµÄ¿É¿¿ÐÔ¡£
Ô¸ºÃÔËÓë¿ìÀÖ°éËæÄ㣡
2Â¥2010-10-21 15:34:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ hzfish µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 11408,335·Ö£¬±¾¿Æ211£¬Çóµ÷¼Á£¬¿Éתרҵ +5 öùÀæ´óöùÓã 2026-04-03 5/250 2026-04-04 22:49 by chongya
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ìµ÷¼Á +19 ÉîVËÞÉá°É 2026-03-30 20/1000 2026-04-04 22:13 by hemengdong
[¿¼ÑÐ] 0703×Ü·Ö331Çóµ÷¼Á +9 ZY-05 2026-04-04 12/600 2026-04-04 22:10 by ZY-05
[¿¼ÑÐ] 325Çóµ÷¼Á +4 ´º·ç²»½èÒâ 2026-04-04 4/200 2026-04-04 22:08 by à£à£à£0119
[¿¼ÑÐ] 292·Ö£¬²ÄÁÏÓ뻯¹¤£¬ÉêÇëµ÷¼Á +22 ³ÌÇçÖ® 2026-04-01 26/1300 2026-04-04 22:03 by hemengdong
[¿¼ÑÐ] Ó¢Ò»Êý¶þÉúÎïÐÅϢѧ287·Ö£¬±¾¿ÆÉúÎï¿ÆÑ§£¬Çóµ÷¼Á +6 ±ÌË®xyz 2026-03-29 7/350 2026-04-04 17:17 by babysonlkd
[¿¼ÑÐ] »¯¹¤Çóµ÷¼Á +11 ÀóÏã֥ʿҬÄÌ 2026-04-03 11/550 2026-04-03 22:06 by à£à£à£0119
[¿¼ÑÐ] Çóµ÷¼Á +4 ѹÁ¦??´ó 2026-04-03 4/200 2026-04-03 21:36 by à£à£à£0119
[¿¼²©] É격ÇóÖú +3 Reee1Llll 2026-04-01 3/150 2026-04-02 22:29 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ò»Ö¾Ô¸ºþÄÏ´óѧÇóµ÷¼Á +5 À¶¼ãƬ 2026-04-02 6/300 2026-04-02 21:37 by dongzh2009
[¿¼ÑÐ] 311Çóµ÷¼Á +14 À¶ÔÂÁÁÁÁ 2026-03-30 14/700 2026-04-02 12:18 by 1753564080
[¿¼ÑÐ] 354Çóµ÷¼Á +4 lxb598 2026-03-31 5/250 2026-04-02 09:55 by Jaylen.
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ÄϾ©Ê¦·¶´óѧ¼ÆËã»úר˶£¬³õÊÔ373£¬Áù¼¶Í¨¹ý£¬ +3 ¼ÆËã»ú×·ÃÎÈË 2026-04-01 3/150 2026-04-02 07:57 by fxue1114
[¿¼ÑÐ] 279Çóµ÷¼Á +7 Īxiao 2026-04-01 7/350 2026-04-01 22:05 by ¿Í¶ûÃÀµÂ
[¿¼ÑÐ] 292Çóµ÷¼Á +17 ľ³æer12138 2026-04-01 17/850 2026-04-01 21:37 by Æß¶È²»ÐÅÈÎ
[¿¼ÑÐ] 286Çóµ÷¼Á +5 Sa67890. 2026-04-01 7/350 2026-04-01 19:50 by 6781022
[¿¼ÑÐ] 0703Ò»Ö¾Ô¸ÄÏʦ´ó334Çóµ÷¼Á +4 seven7yu 2026-03-30 4/200 2026-04-01 16:10 by oooqiao
[¿¼ÑÐ] Çóµ÷¼Á +4 DADA¹Ö 2026-03-31 4/200 2026-04-01 14:30 by ZXlzxl0425
[¿¼ÑÐ] µ÷¼ÁÉêÇë +8 ÕÅÕÅÕÅÕÅzy 2026-03-31 9/450 2026-04-01 08:29 by zjbkx
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +7 Ë«ÂíβƦÀϰå2 2026-03-31 7/350 2026-03-31 19:49 by Dyhoer
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û