±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1064  |  »Ø¸´: 2

xian123321

Òø³æ (СÓÐÃûÆø)

[ÇóÖú] Á¿»¯½á¹û³ö´í ÒÑÓÐ2È˲ÎÓë

A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                  (A) (A) (A)
Restarting incremental Fock formation.
Restarting incremental Fock formation.
Restarting incremental Fock formation.
Restarting incremental Fock formation.
Restarting incremental Fock formation.
Restarting incremental Fock formation.
>>>>>>>>>> Convergence criterion not met.
SCF Done:  E(RB3LYP) =  -6514.66606181     A.U. after  129 cycles
              Convg  =    0.1205D-05             -V/T =  2.0070
Convergence failure -- run terminated.
Error termination via Lnk1e in /home/lg//g09/l502.exe at Tue Nov 25 12:40:03 2014.
Job cpu time:  0 days 11 hours 30 minutes 59.3 seconds.
File lengths (MBytes):  RWF=    599 Int=      0 D2E=      0 Chk=     41 Scr=      1

Õâ¸öÊÇʲôԭÒòÄØ£¬Ö®Ç°Ìû×ÓÀïÓеÄÄÇЩÎÒ¿´ÁË£¬Ò²¸ÄÁËһϣ¬»¹Êdzö´í
ÎÒÓõĸß˹09 B3LYP/6-31+G** ÓÅ»¯µÄ£¬ÀÏÊdzö´í
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

Éú»îºÜ¾«²Ê£¬×Ô¼ºÈ¥Å¬Á¦¡£
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qchem

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
²»ÊÕÁ²£¬Ïȼì²é³õʼ½á¹¹ÊÇ·ñºÏÀí

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
2Â¥2015-01-04 22:22:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ǹÏÂÓλê

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÓÃGV´ò¿ª´ËlogÎļþ£¬¹´Ñ¡²é¿´Ã¿²½ÄÜÁ¿£¬È»ºó¿´ÏÂÊÆÄÜÇúÏßµÄÇ÷ÊÆºÍ×îºóÖÕÖ¹µãµÄ½á¹¹£¬Ö®ºóÔÙºÏÀíµ÷Õûϳõʼ½á¹¹¡£
3Â¥2015-01-05 06:55:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xian123321 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬335·Ö£¬0856£¬Çóµ÷¼ÁԺУºÍµ¼Ê¦ +3 Çã____Ïô 2026-03-27 4/200 2026-03-27 10:15 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +4 @taotao 2026-03-26 5/250 2026-03-27 08:10 by hypershenger
[¿¼ÑÐ] һ־Ը̫ԭÀí¹¤°²È«¹¤³Ì300·Ö£¬Çóµ÷¼Á +3 0857Çóµ÷¼Á. 2026-03-24 3/150 2026-03-27 01:18 by ÇóÖªÈô¿Êlz
[¿¼ÑÐ] 343Çóµ÷¼Á +4 ÔùÎÒÒ»±¾Êé 2026-03-23 4/200 2026-03-27 00:40 by wxiongid
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÀí£¬ÊýÒ»Ó¢Ò»285ÇóAÇøµ÷¼Á +8 AZMK 2026-03-25 10/500 2026-03-26 22:37 by ѧԱ8dgXkO
[¿¼ÑÐ] ²ÄÁϵ÷¼Á 5+4 ÏëÒªÒ»ºøÌÒ»¨Ë® 2026-03-25 10/500 2026-03-26 19:56 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 286Çóµ÷¼Á +13 Faune 2026-03-21 13/650 2026-03-26 19:52 by peike
[¿¼ÑÐ] 085602 289·ÖÇóµ÷¼Á +8 WWWÎ÷Î÷¸¥Ë¹ 2026-03-24 8/400 2026-03-26 16:33 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 0856µ÷¼Á +4 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 5/250 2026-03-26 15:54 by dick_runner
[¿¼ÑÐ] 07»¯Ñ§303Çóµ÷¼Á +5 î£08 2026-03-25 5/250 2026-03-25 22:46 by 418490947
[¿¼ÑÐ] Çóµ÷¼Á +3 QiMing7 2026-03-25 3/150 2026-03-25 21:13 by ¸øÄãÄã×¢ÒâÐÝÏ¢
[¿¼ÑÐ] 290·Öµ÷¼ÁÇóÖú +3 ¼ªÏéÖ¹Ö¹³Â 2026-03-25 3/150 2026-03-25 19:58 by barlinike
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤304ÇóBÇøµ÷¼Á +3 Çñgl 2026-03-25 3/150 2026-03-25 19:03 by Ainin_
[¿¼ÑÐ] 282Çóµ÷¼Á +3 wcq131415 2026-03-24 3/150 2026-03-25 12:16 by userper
[¿¼ÑÐ] 306Çó0703µ÷¼ÁÒ»Ö¾Ô¸»ªÖÐʦ·¶ +10 Ö½Óãly 2026-03-21 11/550 2026-03-24 17:22 by qingfeng258
[¿¼ÑÐ] һ־Ըɽ¶«´óѧҩѧѧ˶Çóµ÷¼Á +3 ¿ª¿ªÐÄÐÄû·³ÄÕ 2026-03-23 4/200 2026-03-24 00:06 by ¿ª¿ªÐÄÐÄû·³ÄÕ
[¿¼ÑÐ] 335Çóµ÷¼Á +4 yuyuÓî 2026-03-23 5/250 2026-03-23 23:49 by Txy@872106
[¿¼ÑÐ] 298Çóµ÷¼Á +8 Éϰ¶6666@ 2026-03-20 8/400 2026-03-23 11:02 by laoshidan
[¿¼ÑÐ] ÇóÖú +5 ÃÎÀïµÄÎÞÑÔ 2026-03-21 6/300 2026-03-21 17:51 by ѧԱ8dgXkO
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-20 3/150 2026-03-21 16:46 by barlinike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û