Znn3bq.jpeg
²é¿´: 2599  |  »Ø¸´: 13
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ÃÎÓ°ÎÞºÛ

Ìú³æ (³õÈëÎÄ̳)

[ÇóÖú] ³ýÁËccsdt»¹ÓÐʲô·½·¨È·¶¨»ù̬

ÎҵĽá¹ûÊÇÓøß˹09ËãµÄ£¬Á½¸öisomerÄÜÁ¿Ì«¿¿½ü £¬¹¹ÐÍÓÖÎÒÍêÈ«²»Ò»Ñù£¬ÎÒËã¹ýccsd£¨t£©µãµ¥ºÍÓÅ»¯£¬ÄÜÁ¿»¹ÊDzî0.01£¬²»ÄÜÈ·¶¨»ù̬£¬µ«Á½¸ö¹¹ÐÍÍêÈ«²»Ò»Ñù£¬Ò»¸öÇÅÑõÒ»¸ö¶ËÑõ£¬ÇëÎÊ»¹ÓÐʲô¸üºÃµÄ·½·¨¿ÉÒÔÈ·¶¨»ù̬
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Á¿×Ó»¯Ñ§ºÍ¼ÆË㻯ѧ

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

ÃÎÓ°ÎÞºÛ

Ìú³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
7Â¥: Originally posted by virtualzx at 2013-10-02 13:09:20
ÕâÔÚÒì¹¹ÌåÄÜÁ¿²îÀïÊÇͦ´óµÄÁË¡£

Èç¹ûÄãµÄ²Î¿¼Ì¬ÕýÈ·£¬»ù×é±È½ÏºÏÀí£¬CCSD(T)10µ½15¸öÔ­×ӵϰÄÜÁ¿µÄÎó²îÒ»°ã¶¼ÄÜ´ïµ½1kcal/mol×óÓÒ¡£¶øÇÒÕâÊÇ¿¼ÂÇÁ˸÷ÖÖÍêÈ«²»Í¬»¯Ñ§½á¹¹µÄÄÜÁ¿²îµÄÇé¿ö£¬±ÈÈç¼ÆËã±½ºÍÈý¸öÒÒȲ ...

ллÄúµÄ»ØÌû£¬ÎÒËãµÄÊÇС×é·Ö£¬Ô­×ÓÊý²»¶à£¬Ìåϵ¶Ô¹ý¶È½ðÊôÔ­×ÓÊDzÉÓÃb3lyp,ÑõÔ­×Ó²ÉÓÃaugccpvtz,ÄÜÁ¿Ïà²î0.01eV,ÕâÊÇccsdtÓÅ»¯ºóµÄ£¬ÎÒÊÇÏ뻹ÓÐûÓиüºÃµÄ·½·¨½«ÆäÇø·Ö£¬ÒòΪÁ½¸ö¹¹ÐÍÍêÈ«²»Ò»Ñù£¬Ð»Ð»ÄúµÄ´ð¸´
9Â¥2013-10-02 17:53:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 14 ¸ö»Ø´ð

virtualzx

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
²î0.01Ô­×Óµ¥Î»£¿ÄÇÊǺܴóµÄÄÜÁ¿²îÁË¡£
2Â¥2013-10-01 17:22:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ptf6

ľ³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
0.01¸öa.uºÜ¶àÂð£¿ÎÒ¾õµÃÕâµãÄÜÁ¿²î¿ÉÒÔºöÂÔÁË
3Â¥2013-10-01 19:36:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

agent99

½û³æ (ÕýʽдÊÖ)

Îﻯ³ÌÐòÔ³

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÒýÓûØÌû:
3Â¥: Originally posted by ptf6 at 2013-10-01 06:36:32
0.01¸öa.uºÜ¶àÂð£¿ÎÒ¾õµÃÕâµãÄÜÁ¿²î¿ÉÒÔºöÂÔÁË

6.25 kcal/mol ¿ÉÒÔºöÂÔ£¿
ÀíÂÛÓë¼ÆË㻯ѧ£¬»¯Ñ§ÎïÀí£¬ÉúÎïÎïÀí
4Â¥2013-10-02 02:15:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬326ÇóÉúÎïѧµ÷¼Á +12 Áõīī 2026-04-13 12/600 2026-04-18 23:31 by ·²¡Çé
[¿¼ÑÐ] 22408 312Çóµ÷¼Á +24 ÃÅ·ÃþÃþ 2026-04-14 26/1300 2026-04-18 13:04 by wunaiy88
[¿¼ÑÐ] »¯¹¤Ñ§Ë¶294·Ö£¬Çóµ¼Ê¦ÊÕÁô +33 yzyzx 2026-04-12 37/1850 2026-04-17 23:00 by wunaiy88
[¿¼ÑÐ] 304Çóµ÷¼Á +7 castLight 2026-04-16 7/350 2026-04-17 20:05 by ¹ØÒ»ÕµµÆcd
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó²ÄÁÏÓ뻯¹¤£¬353·Ö»¹Óе÷¼ÁѧУÂð +10 ·ñ¼«Ì©À´2026 2026-04-15 12/600 2026-04-17 17:54 by mapenggao
[¿¼ÑÐ] 322Çóµ÷¼Á +6 tekuzu 2026-04-17 6/300 2026-04-17 13:48 by Espannnnnol
[¿¼ÑÐ] 294Çóµ÷¼Á +14 µ­È»654321 2026-04-15 14/700 2026-04-16 21:01 by lpl364211
[¿¼ÑÐ] 307ÖÐÒ½¿¼Ñе÷¼Á +6 ÓÚÒÔ²ÉÞÀ 2026-04-14 6/300 2026-04-16 16:20 by qingfeng258
[¿¼ÑÐ] 297£¬¹¤¿Æµ÷¼Á?ºÓÄÏũҵ´óѧ±¾¿Æ +14 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-14 14/700 2026-04-16 14:41 by dingyanbo1
[¿¼ÑÐ] 279ѧ˶ʳƷרҵÇóµ÷¼ÁԺУ 20+7 ¹Â¶ÀµÄÀǰ®³ÔÑò 2026-04-12 29/1450 2026-04-16 09:00 by screening
[¿¼ÑÐ] 085404 22408 309·ÖÇóµ÷¼Á +9 lzmk 2026-04-14 10/500 2026-04-15 20:02 by ѧԱJpLReM
[¿¼ÑÐ] ͨÐŹ¤³ÌÇóµ÷¼Á£¡£¡£¡ +6 zlb770521 2026-04-14 6/300 2026-04-15 20:00 by ѧԱJpLReM
[¿¼ÑÐ] 0854µ÷¼Á +13 ³¤¹­°Á 2026-04-12 16/800 2026-04-15 13:45 by fenglj492
[½Ìʦ֮¼Ò] ת³¤Æ¸ÁË +7 ¼òµ¥»¯xn 2026-04-13 7/350 2026-04-14 14:50 by xindong
[¿¼ÑÐ] ʳƷÓëÓªÑø£¨0955£©271Çóµ÷¼Á +15 Éý¸ñ°¢´ï 2026-04-12 16/800 2026-04-14 13:18 by ¸¡Èô_°²Éú
[¿¼ÑÐ] 293Çóµ÷¼Á +16 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 18/900 2026-04-13 21:47 by ѧԱJpLReM
[¿¼ÑÐ] BÇø0809 £¬ÊýÒ»Ó¢Ò»£¬290 Çóµ÷¼Á +3 ãöΫ1111 2026-04-12 4/200 2026-04-13 20:35 by ѧԱJpLReM
[¿¼ÑÐ] 297¹¤¿Æ£¬Çóµ÷¼Á? +13 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-12 13/650 2026-04-13 14:12 by dingyanbo1
[¿¼ÑÐ] Ò»Ö¾Ô¸085802 323·ÖÇóµ÷¼Á +13 drizzle_9 2026-04-12 14/700 2026-04-13 10:26 by Faiz5552
[¿¼ÑÐ] ¡£ +10 Àî¶àÃ×lee. 2026-04-12 11/550 2026-04-12 22:58 by yuyin1233
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û