±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 761  |  »Ø¸´: 11
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

¼Ö¼Ö

½ð³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿ÓиöÒÉÎÊ

ÓÃb3lyp/3-21g    0    1ºÍub3lyp/3-21g     0   3¶ÔͬһÌåϵ·Ö±ð½øÐÐÓÅ»¯£¬±È½ÏÄÜÁ¿·¢ÏÖÈýÖØÌ¬µÄÄÜÁ¿µÍЩ£¬ËùÒÔÊDz»ÊÇÕâ¸öÌåϵµÄ»ù̬¾ÍÊÇÈýÖØÌ¬£¿

[ Last edited by ¼Ö¼Ö on 2010-1-20 at 15:53 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

467266420

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒýÓûØÌû:
Originally posted by ¼Ö¼Ö at 2010-1-20 15:52:
ÓÃb3lyp/3-21g    0    1ºÍub3lyp/3-21g     0   3¶ÔͬһÌåϵ·Ö±ð½øÐÐÓÅ»¯£¬±È½ÏÄÜÁ¿·¢ÏÖÈýÖØÌ¬µÄÄÜÁ¿µÍЩ£¬ËùÒÔÊDz»ÊÇÕâ¸öÌåϵµÄ»ù̬¾ÍÊÇÈýÖØÌ¬£¿

[ Last edited by  ...

¿ÉÒÔÕâôÈÏΪ¡£¸ù¾Ý¾­Ñé¶àµç×Ó̬µÄÎïÖʵÄÈýÖØÌ¬ÄÜÁ¿×ÜÒªµÍЩ¡£
2Â¥2010-01-20 15:59:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¼Ö¼Ö

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by 467266420 at 2010-1-20 15:59:

¿ÉÒÔÕâôÈÏΪ¡£¸ù¾Ý¾­Ñé¶àµç×Ó̬µÄÎïÖʵÄÈýÖØÌ¬ÄÜÁ¿×ÜÒªµÍЩ¡£

ºÃµÄ  Ð»Ð»
3Â¥2010-01-20 16:31:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

3867826

ľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
¿ªÊ¼±È½Ï³õʼÎï¿ÉÄÜÊÇ3ÖØÌ¬ µ«ÊÇ¿ÉÄÜÓн»²æ ±äµ½±ðµÄ×é̬ Ҳ˵²»Ò»¶¨
¿´¿´±ðÈ˵ÄÊÆÄܽ»²æÃæµÄÎÄÏ× Ê²Ã´½ðÊôºÍÍéÌþÀïÃæ¶¼Ìá¼°µ½ÁË ½»²æ
¾Ü¸å£¬ÖÕÓÚÌå»áµ½ÁË£¡ÂÒд½ÓÊÜ£¬ÈÏÕæÐ´¾Ü¸å£¬Õâ¾ÍÊÇ2ºÍ4µÄÇø±ðÂð£¿
4Â¥2010-01-20 17:07:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangmt

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÎÒ½ÐMT

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÄÇÒ²²»Ò»¶¨Å¶¡£Ò²Ðí5ÖØÌ¬¸üµÍÄØ¡£ÄÜÁ¿×îµÍµÄÄǸö²ÅÊÇ»ù̬¡£
ÎûÎû£¬ÆäʵÎÒ¾ÍÊÇ¿´Ò»ÏÂиĵÄÍ·ÏñЧ¹û¡£¹þ¹þ
һȺ×ÔÒÔΪÕýÒåÁÝÈ»µÄÄêÇáÈ˽«Ò»Çв»ÄÜÒÔ¿ÆÑ§½âÊ͵ÄÊÂÇ鶨ÐÔΪ·â½¨ÃÔÐŲ¢´óµ¶À«¸«µØ½øÐÐÏûÃð£¬ÆäʵÕâÊÇÐÞÑø²»×ãѧʶdz±¡µÄÒ»ÖÖÌåÏÖ£¬Ò²ÊǿɶñµÄƫִºÍÓÞ´ÀµÄ×ÔÒÔ
5Â¥2010-01-20 21:33:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

beefly

ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)

µØ¹µÓÍÒ±Á¶×¨¼Ò

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjcmwgk(½ð±Ò+1,VIP+0): 1-22 11:15
udftÓÐ×ÔÐýÎÛȾ£¬½¨ÒéÓÃb3lyp/3-21g    0    1 + tddftÑéÖ¤Ò»ÏÂ×îµÍÈýÖØÌ¬¡£

Èç¹ûº¬ÓÐd¡¢f¹ìµÀ·ÇÂúÕ¼¾ÝµÄ¹ý¶É½ðÊô£¬ÄÇôһ°ãµÄÀíÂÛ·½·¨¶¼¿¿²»×¡¡£
beefly¡¶Î÷̫ƽÑó´óѧÏÖ´úÓ¢ºº´Êµä¡·[bi:fli]Å£ÈâÒ»°ãµØ
6Â¥2010-01-21 00:02:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¼Ö¼Ö

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by zhangmt at 2010-1-20 21:33:
ÄÇÒ²²»Ò»¶¨Å¶¡£Ò²Ðí5ÖØÌ¬¸üµÍÄØ¡£ÄÜÁ¿×îµÍµÄÄǸö²ÅÊÇ»ù̬¡£
ÎûÎû£¬ÆäʵÎÒ¾ÍÊÇ¿´Ò»ÏÂиĵÄÍ·ÏñЧ¹û¡£¹þ¹þ

ÔÎ
7Â¥2010-01-21 09:49:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¼Ö¼Ö

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by beefly at 2010-1-21 00:02:
udftÓÐ×ÔÐýÎÛȾ£¬½¨ÒéÓÃb3lyp/3-21g    0    1 + tddftÑéÖ¤Ò»ÏÂ×îµÍÈýÖØÌ¬¡£

Èç¹ûº¬ÓÐd¡¢f¹ìµÀ·ÇÂúÕ¼¾ÝµÄ¹ý¶É½ðÊô£¬ÄÇôһ°ãµÄÀíÂÛ·½·¨¶¼¿¿²»×¡¡£

ÈçºÎÑéÖ¤£¬ÄÜ·ñ˵µÄ¸üÏêϸµã£¬Ð»Ð»
8Â¥2010-01-21 09:51:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Ïȸø³öÄãµÄS**2Öµ£¬¿´¿´×ÔÐýÎÛȾÎÊÌ⣬²»Òª¼±×ÅϽáÂÛ¡£ºÇºÇ
9Â¥2010-01-21 10:48:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¼Ö¼Ö

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by yjcmwgk at 2010-1-21 10:48:
Ïȸø³öÄãµÄS**2Öµ£¬¿´¿´×ÔÐýÎÛȾÎÊÌ⣬²»Òª¼±×ÅϽáÂÛ¡£ºÇºÇ

×ÔÐý¶àÖØ¶ÈÊÇ3£¬ÄÇôÀíÂÛS**2Öµ¾ÍÓ¦¸ÃÊÇ2£¬µ«ÊÇÎұȽÏÁËһϷ¢ÏÖÎÒµÄֵΪ2.0725£¬Ã»Óг¬¹ýÀíÂÛÖµµÄ10%£¬ÄÇô×ÔÐýÎÛȾÊÇ·ñ¿ÉÒÔºöÂÔ£¬ËùÒÔÈýÖØÌ¬»¹ÊÇ»ùÌ¬ÄØ?
10Â¥2010-01-21 14:40:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ¼Ö¼Ö µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 301Çóµ÷¼Á +3 121. 2026-04-04 3/150 2026-04-04 17:19 by °¡¿¡£¡
[¿¼ÑÐ] 085600£¬×¨Òµ¿Î»¯¹¤Ô­Àí£¬320·ÖÇóµ÷¼Á +8 ´ó²öС×Ó 2026-03-29 8/400 2026-04-04 16:21 by dongzh2009
[¿¼ÑÐ] 333Çóµ÷¼Á +8 °¢¿ÆÒÝ 2026-03-31 8/400 2026-04-04 16:11 by dongzh2009
[¿¼ÑÐ] 348·Ö»·¾³¹¤³Ì¡¤µ÷¼Á +10 ÎâÑå׿24k 2026-04-03 11/550 2026-04-04 14:19 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +3 zhouzhen654 2026-04-03 3/150 2026-04-04 08:23 by baoball
[¿¼ÑÐ] »¯¹¤µ÷¼Á303·Ö£¬¹ýËļ¶ +28 ÆÜÎà´ý·ç 2026-04-02 28/1400 2026-04-03 21:40 by qlm5820
[¿¼ÑÐ] 335Çóµ÷¼Á +7 ÉòÇåÁ§ 2026-04-03 7/350 2026-04-03 18:55 by lijunpoly
[¿¼ÑÐ] µ÷¼ÁÇóÖú +8 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-02 11/550 2026-04-03 14:16 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 306·Ö²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +4 Àè°ÉÀ²À²ÄãºÜÓÐà 2026-04-03 4/200 2026-04-03 11:24 by wangjy2002
[¿¼ÑÐ] ±§Ç¸ +5 ÌïºéÓÐ 2026-03-30 5/250 2026-04-03 10:24 by linyelide
[¿¼ÑÐ] 309Çóµ÷¼Á +14 ´ô¹½²»ÊÇ´÷·ò 2026-04-02 14/700 2026-04-03 09:42 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 293Çóµ÷¼Á +4 çæçæÀÖ 2026-04-02 4/200 2026-04-02 20:10 by 6781022
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ¸µÎÄÇï 2026-04-02 5/250 2026-04-02 18:10 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó²ÄÁϹ¤³Ì290Çóµ÷¼Á +20 Youth_ 2026-03-30 20/1000 2026-04-02 14:48 by 5896
[¿¼ÑÐ] 266·Ö£¬Ò»Ö¾Ô¸µçÆø¹¤³Ì£¬±¾¿Æ²ÄÁÏ£¬Çó²ÄÁÏרҵµ÷¼Á +4 ÍÛºôºßºôºß 2026-04-02 4/200 2026-04-02 13:10 by yulian1987
[¿¼ÑÐ] ²ÄÁÏר˶322·Ö +11 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 11/550 2026-04-02 10:52 by lnilvy
[¿¼ÑÐ] ±¾2Ò»Ö¾Ô¸C9-333·Ö£¬²ÄÁÏ¿ÆÑ§Ó빤³Ì£¬Çóµ÷¼Á +9 ÉýÉý²»½µ 2026-03-31 9/450 2026-03-31 18:01 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 070300»¯Ñ§354Çóµ÷¼Á +15 101´ÎÏ£Íû 2026-03-28 15/750 2026-03-31 17:58 by jp9609
[¿¼ÑÐ] ÎïÀíѧµ÷¼Á +4 СÑò36 2026-03-30 4/200 2026-03-31 16:16 by lishahe
[¿¼ÑÐ] ÉúÎÑÐ337·ÖÇóµ÷¼Á +4 cgxin 2026-03-30 6/300 2026-03-31 14:18 by ¼Çʱ¾2026
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û