±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 805  |  »Ø¸´: 5

liujuan8704

Òø³æ (СÓÐÃûÆø)


[½»Á÷] ¡¾ÇóÖú¡¿HF/6-31G·½·¨µÃ³öµÄ³õʼ½á¹¹

HF/6-31G·½·¨µÃ³öµÄ³õʼ½á¹¹ ÊÇÔõô³öÀ´µÄ Äܲ»ÄÜÂé·³ÄÄλ´óÏÀ¸æËßÎÒ°¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
liujuan8704(½ð±Ò+1): 2011-03-09 09:58:09
liujuan8704(½ð±Ò+1): 2011-03-18 10:53:42
liujuan8704(½ð±Ò+1): 2011-03-18 10:53:52
²»ÊǺÜÃ÷°×ÀÏÐÖʲôÒâ˼
Äã˵µÄHF/6-31GÊÇËùÓõļÆËã·½·¨ºÍ»ù×飬ºÍ½á¹¹ÓÐʲô¹ØÏµ
2Â¥2011-03-07 16:59:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mountwar

½û³æ (СÓÐÃûÆø)

¡ï
zzy870720z(½ð±Ò+1): ºÇºÇ£¬Õâô¸ßÉîµÄÎÊÌâ¶¼±»½â¾öÁË£¬¶àлÁË£¬Ð»Ð»Ö¸½Ì 2011-03-07 22:17:58
liujuan8704(½ð±Ò+2): 2011-03-09 09:58:29
liujuan8704(½ð±Ò+1): 2011-03-18 10:53:38
±¾ÌûÄÚÈݱ»ÆÁ±Î

3Â¥2011-03-07 20:42:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liujuan8704

Òø³æ (СÓÐÃûÆø)


ÒýÓûØÌû:
Originally posted by mountwar at 2011-03-07 20:42:10:
¾ÍÊÇÔÚÓÅ»¯½á¹¹ÊÇÓÃHF·½·¨£¬ÔÚ6-31G»ù×éÉϽøÐС£

ÄÇÊǵÃ×Ô¼º½¨ºÃÄ£ÐÍ È»ºóÓÃHF 6-31G »ù×éÓÅ»¯  £¿
4Â¥2011-03-09 10:00:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liujuan8704

Òø³æ (СÓÐÃûÆø)


zzy870720z: Èç¹ûÎÊÌâ½â¾ö£¬Çë°ïæ±êÌâÇóÖúÐÞ¸ÄΪÇóÖú³É¹¦£¬Ð»Ð»ºÏ×÷ 2011-03-12 14:04:25
лл ºÇºÇ

[ Last edited by liujuan8704 on 2011-3-18 at 10:53 ]
6Â¥2011-03-12 11:19:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
mountwar5Â¥
2011-03-09 10:20   »Ø¸´  
liujuan8704(½ð±Ò+2): 2011-03-12 11:19:30
liujuan8704(½ð±Ò+1): 2011-03-18 10:53:27
ÒýÓûØÌû:
Originally posted by liujuan8704 at 2011-03-09 11:00:05: ÄÇÊǵÃ×Ô¼º½¨ºÃÄ£ÐÍ È»ºóÓÃHF 6-31G »ù×éÓÅ»¯ £¿

¶÷
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ liujuan8704 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 326Çóµ÷¼Á +8 áÌáÌ×Ð 2026-04-02 8/400 2026-04-02 23:00 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¹¤¿Æ 267Çóµ÷¼Á +3 wanwan00 2026-04-02 5/250 2026-04-02 21:42 by wanwan00
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸±±Àí325·ÖÇóµ÷¼Á +4 ÕÒµ÷¼Á£¬£¬ 2026-04-02 4/200 2026-04-02 21:29 by dongzh2009
[¿¼ÑÐ] 342Çóµ÷¼Á +16 Mary Keen 2026-03-28 17/850 2026-04-02 21:14 by 690616278
[¿¼ÑÐ] µ÷¼ÁÇóÖú +8 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-02 8/400 2026-04-02 20:47 by dongzh2009
[¿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
[ÂÛÎÄͶ¸å] chinese chemical lettersÓ¢ÎİæÍ¶¸åÇóÖú 120+4 Yishengeryi 2026-03-30 6/300 2026-04-02 17:19 by Yishengeryi
[¿¼ÑÐ] 348Çóµ÷¼Á +6 СÀÁ³æ²»ÀÁÁË 2026-03-27 7/350 2026-04-02 11:18 by sanrepian
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +8 ÄØÄØÄÝÄÝ 2026-04-01 8/400 2026-04-02 07:13 by yjolah
[¿¼ÑÐ] 0856£¬²ÄÁÏÓ뻯¹¤321·ÖÇóµ÷¼Á +13 ´ó²öС×Ó 2026-03-27 14/700 2026-04-01 15:58 by yanflower7133
[¿¼ÑÐ] 285Çóµ÷¼Á +5 FZAC123 2026-03-30 5/250 2026-04-01 15:50 by º«Ó꺭
[¿¼ÑÐ] 318Ò»Ö¾Ô¸¼ªÁÖ´óѧÉúÎïÓëÒ½Ò© Çóµ÷¼Á +6 óÆÐÐÖÂÔ¶. 2026-03-28 6/300 2026-04-01 09:28 by oooqiao
[¿¼ÑÐ] 080200ѧ˶£¬»úе¹¤³Ìרҵ277·Ö£¬Çó´ø×ߣ¡ +4 Æ¿×ÓPZ 2026-03-31 4/200 2026-03-31 20:16 by vgtyfty
[¿¼ÑÐ] Ó¢Ò»ÊýÒ»×Ü·Ö334Çóµ÷¼Á +4 ³ÂÑôÀ¤ 2026-03-31 4/200 2026-03-31 14:22 by ¼Çʱ¾2026
[¿¼ÑÐ] 282Çóµ÷¼Á +3 ºôÎü¶¼ÊǼõ·Ê 2026-03-31 3/150 2026-03-31 10:00 by wangjy2002
[¿¼ÑÐ] ±¾¿Æ211×Ü·Ö289£¬08¹¤Ñ§ÕæÐÄÇóµ÷¼Á +3 utopiaE 2026-03-30 3/150 2026-03-30 23:42 by ms629
[¿¼ÑÐ] 317·Ö Ò»Ö¾Ô¸ÄÏÀí¹¤²ÄÁϹ¤³Ì ±¾¿Æºþ¹¤´ó Çóµ÷¼Á +12 ÓóÄàСÁåîõ 2026-03-28 12/600 2026-03-30 17:06 by wangjy2002
[¿¼ÑÐ] 279Çóµ÷¼Á +4 µûÎèÇáÈÆ 2026-03-29 4/200 2026-03-29 09:45 by laoshidan
[¿¼ÑÐ] 295Çóµ÷¼Á +5 1428151015 2026-03-27 6/300 2026-03-28 04:04 by fmesaito
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó071010£¬316·ÖÇóµ÷¼Á +3 xgbiknn 2026-03-27 3/150 2026-03-27 10:36 by guoweigw
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û