Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1293  |  »Ø¸´: 6

mn51

Í­³æ (³õÈëÎÄ̳)

[½»Á÷] ¡¾ÇóÖú¡¿ÇóÎÊMP2/6-311++G(d,p) ƵÂÊУÕýÒò×Ó ÒÑÓÐ5È˲ÎÓë

ÇóÎÊMP2/6-311++G(d,p) ƵÂÊУÕýÒò×Ó
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

bluesky8588

ľ³æ (СÓÐÃûÆø)

¡ï
mn51(½ð±Ò+2): 2010-04-18 20:46
aylayl08(½ð±Ò+1):лл»ØÌû½»Á÷ 2010-04-20 18:01

¿´¿´Õâ¸öÒ²Ðí»áÓаïÖú
ºÃÔ˳£ÔÚ!
2Â¥2010-04-18 00:28:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qzhaosdu

½ð³æ (ÖøÃûдÊÖ)

¡ï
mn51(½ð±Ò+2): 2010-04-18 20:47
aylayl08(½ð±Ò+1):лл»ØÌû½»Á÷ 2010-04-20 18:01
Â¥ÉϵľÍÊÇÕâ¸öÍøÕ¾http://cccbdb.nist.gov/£¬Â¥Ö÷ÐèҪʲô×Ô¼º²é
Anewday,anewhour,anewminute,anewpeople.
3Â¥2010-04-18 12:36:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

G03W

Òø³æ (ÕýʽдÊÖ)

¡ï
aylayl08(½ð±Ò+1):ллָµã 2010-04-21 08:50
mn51(½ð±Ò+5): 2010-04-22 20:29
0.981
4Â¥2010-04-20 18:47:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÍõÖÐѧ

ľ³æ (ÕýʽдÊÖ)

º£±ßʰ±´µÄÍçͯ

Çë´ó¼Ò°Ñ²Î¿¼ÎÄÏ×Ҳһͬ¸ø³ö£¬ÔõÑù°¡£¬ÕâÑùдÎÄÕÂÒ²ÓеķÅʸ¡£
¾ýµ±ÈçÀ¼£¬ÓĹȳ¤·ç£¬Äþ¾²Ö¾Ô¶
5Â¥2010-04-21 10:07:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mn51

Í­³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
Originally posted by ÍõÖÐѧ at 2010-04-21 10:07:12:
Çë´ó¼Ò°Ñ²Î¿¼ÎÄÏ×Ҳһͬ¸ø³ö£¬ÔõÑù°¡£¬ÕâÑùдÎÄÕÂÒ²ÓеķÅʸ¡£

Êǰ¡Êǰ¡~~
6Â¥2010-04-22 20:30:30
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
???????:
70747?: Originally posted by bluesky8588 at 2010-04-18 00:28:59
http://pic.muchong.com/201004/18/625618_2010418002824.jpg
?????????????§Ñ???

ÇëÎÊB3LYP/6-311++G(d,p) µÄУÕýÒò??Ϊ¶àÉÙ£¬ÓÐûÓÐÏà¹Ø???¿¼ÎÄÏ×
7Â¥2013-02-26 15:06:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ mn51 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »·¾³×¨Ë¶µ÷¼Á +15 »á˵»°µÄÖâ×Ó 2026-04-06 15/750 2026-04-08 18:56 by »·»¯²Ä-СÉú
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +13 ºº123456 2026-04-07 14/700 2026-04-07 22:53 by À´¿´Á÷ÐÇÓê10
[¿¼ÑÐ] »¯¹¤µ÷¼Á303·Ö£¬¹ýËļ¶ +34 ÆÜÎà´ý·ç 2026-04-02 34/1700 2026-04-07 12:30 by 1018329917
[¿¼ÑÐ] 287Çóµ÷¼Á +3 ͨÐÅѧ˶081000 2026-04-03 4/200 2026-04-06 21:03 by going home
[¿¼ÑÐ] 285Çóµ÷¼Á +8 AZMK 2026-04-04 11/550 2026-04-06 13:56 by BruceLiu320
[¿¼ÑÐ] Çóµ÷¼Á +11 xzghyuj 2026-04-04 11/550 2026-04-06 11:49 by lijunpoly
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +13 ŬÁ¦·Ü¶·112 2026-04-04 13/650 2026-04-06 07:13 by jj987
[¿¼ÑÐ] 377Çóµ÷¼Á +6 by.ovo 2026-04-05 6/300 2026-04-05 22:18 by dongzh2009
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤306·ÖÕÒºÏÊʵ÷¼Á +14 ²×º£ÇáÖÛe 2026-04-04 14/700 2026-04-05 09:53 by ÖìÔÆ»¢202
[¿¼ÑÐ] 294Çóµ÷¼Á +6 Grey_Ey 2026-04-02 9/450 2026-04-04 22:07 by hemengdong
[¿¼ÑÐ] 085400µç×ÓÐÅÏ¢319Çóµ÷¼Á£¨½ÓÊÜ¿çרҵµ÷¼Á£© +5 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 6/300 2026-04-04 21:50 by hemengdong
[¿¼ÑÐ] 324Çóµ÷¼Á +14 ÏëÉÏѧÇóµ÷ 2026-04-02 15/750 2026-04-04 20:31 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 309Çóµ÷¼Á +4 ¿ìÀÖµÄС°×¸ë 2026-04-04 5/250 2026-04-04 15:55 by cql1109
[¿¼ÑÐ] 348·Ö»·¾³¹¤³Ì¡¤µ÷¼Á +10 ÎâÑå׿24k 2026-04-03 11/550 2026-04-04 14:19 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358 +6 cs0106 2026-04-03 6/300 2026-04-04 11:20 by w_xuqing
[¿¼ÑÐ] 311Çóµ÷¼Á +20 zchqwer 2026-04-01 22/1100 2026-04-03 22:09 by lglzsd
[¿¼ÑÐ] 289-Çóµ÷¼Á +4 ÕâÀïÊÇ_ 2026-04-03 4/200 2026-04-03 14:23 by 1753564080
[¿¼ÑÐ] ¹¤¿Æ341·Öµ÷¼Á +3 Âå¶àÂÞ 2026-04-03 3/150 2026-04-03 14:20 by 1753564080
[¿¼ÑÐ] 320Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 3/150 2026-04-03 11:40 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 298ÇóBÇøµ÷¼Á +4 zzz£¬£¬r 2026-04-02 5/250 2026-04-02 12:17 by ÍÁľ˶ʿÕÐÉú
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û