²é¿´: 1276  |  »Ø¸´: 2

chm_liyx

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ÇëÎÊÓÅ»¯½á¹¹×îºó³öÀ´µÄµÄÄÜÁ¿ÊÇָôѽ£¬¼ª²¼Ë¹×ÔÓÉÄÜÂð

1.¸ß˹ÓÅ»¯Ò»¸ö·Ö×ӽṹ£¬logÎļþÖгöÀ´µÄSCF Done:  E(RB3LYP) =  -1155.31621580     Õâ¸öÄÜÁ¿ÊÇʲôÄÜ£¬¼ª²¼Ë¹×ÔÓÉÄÜÂ𣬻¹ÊDZðµÄ£¬Ó¢Óïզ˵£¬ºÇºÇ

2. µ¥Î»ÊÇhatree°É£¬Ð»Ð»
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

yeahhanpei

½ð³æ (ÕýʽдÊÖ)

Â¥Ö÷ÄãÖªµÀÁËô£¿Õâ¸öÄÜÁ¿ÊÇʲôÄÜ£¿
ÎÒµÄÃÎÏëÄÇô´ó£¬ÎÒÈ´ÀëµÃÄÇôԶ£¡
2Â¥2016-08-31 16:24:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chm_liyx

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by yeahhanpei at 2016-08-31 16:24:07
Â¥Ö÷ÄãÖªµÀÁËô£¿Õâ¸öÄÜÁ¿ÊÇʲôÄÜ£¿

ÎÒÖ»ÖªµÀÊǵ¥µãÄÜ

·¢×ÔСľ³æAndroid¿Í»§¶Ë
3Â¥2016-09-01 06:30:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ chm_liyx µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ±±¿Æ281ѧ˶²ÄÁÏÇóµ÷¼Á +11 tcxiaoxx 2026-03-20 13/650 2026-03-25 15:38 by barlinike
[¿¼ÑÐ] 274Çóµ÷¼Á +7 ¹Ë¾ÅóÏҪǫÐé 2026-03-24 7/350 2026-03-25 15:18 by baoball
[¿¼ÑÐ] 284Çóµ÷¼Á +15 Zhao anqi 2026-03-22 15/750 2026-03-25 12:51 by wht0531
[¿¼ÑÐ] 281Çóµ÷¼Á +4 Koxui 2026-03-24 5/250 2026-03-25 11:38 by userper
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏÓ뻯¹¤303·ÖÇóµ÷¼Á +4 Ϊѧ666 2026-03-24 4/200 2026-03-25 11:27 by BruceLiu320
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +9 A-¶ßÀ²ZÃÎ 2026-03-23 15/750 2026-03-25 11:18 by Ainin_
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 4/200 2026-03-25 10:37 by barlinike
[¿¼ÑÐ] 289²ÄÁÏÓ뻯¹¤£¨085600£©BÇøÇóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-22 5/250 2026-03-25 08:20 by mx.yue
[¿¼ÑÐ] ¿¼Ñе÷¼Á +4 ºôºô£¿~+123456 2026-03-24 4/200 2026-03-24 23:16 by barlinike
[¿¼ÑÐ] 0854 ¿¼Ñе÷¼Á ÕÐÉúÁË£¡AI ·½Ïò +5 pk3725069 2026-03-19 17/850 2026-03-24 17:30 by zhouxuan..
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó£¬085400£¬320£¬Çóµ÷¼Á +3 gdlf9999 2026-03-24 3/150 2026-03-24 10:08 by ²«»÷518
[¿¼ÑÐ] Ò»Ö¾Ô¸070300Õã´ó»¯Ñ§358·Ö£¬Çóµ÷¼Á£¡ +4 ËÖËÖÓã.. 2026-03-21 4/200 2026-03-23 08:12 by Iveryant
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»Í¨´óѧ²ÄÁϹ¤³Ìרҵ 282·ÖÇóµ÷¼Á +11 ·ãÇÅZL 2026-03-18 13/650 2026-03-22 20:26 by edmund7
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤306 +4 z1z2z3879 2026-03-21 4/200 2026-03-21 23:44 by ms629
[¿¼ÑÐ] 297Çóµ÷¼Á +3 ϲ»¶»¹ÊDz»¸ÊÐÄ 2026-03-20 3/150 2026-03-21 18:33 by ѧԱ8dgXkO
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ºìÒÂÒþ¹Ù 2026-03-21 5/250 2026-03-21 14:59 by lature00
[¿¼ÑÐ] 330Çóµ÷¼Á0854 +3 assdll 2026-03-21 3/150 2026-03-21 13:01 by ²«»÷518
[¿¼ÑÐ] 085601µ÷¼Á 358·Ö +3 zzzzggh 2026-03-20 4/200 2026-03-21 10:21 by luoyongfeng
[¿¼ÑÐ] Ò»Ö¾Ô¸Öк£Ñó²ÄÁϹ¤³Ìר˶330·ÖÇóµ÷¼Á +8 С²Ä»¯±¾¿Æ 2026-03-18 8/400 2026-03-20 23:16 by JourneyLucky
[¿¼ÑÐ] ²ÄÁÏѧ˶318Çóµ÷¼Á +5 February_Feb 2026-03-19 5/250 2026-03-19 23:51 by 23Postgrad
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û