²é¿´: 686  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

lixiaona158

ľ³æ (ÖøÃûдÊÖ)

×ÔÓÉÈË

[½»Á÷] ¡¾ÇóÖú¡¿ÈܼÁ¼ÆËã¹âÆ×¼±Çó°ïÖú ÒÑÓÐ3È˲ÎÓë

ʹÓÃOnsagerÄ£ÐͼÆËã;
#p td(nstates=2,root=1,triplets) b3lyp/lanl2dz SCRF(dipole, a0=6.93, eps=2.379)

³ö´íÐÅÏ¢£º
No numerical Onsager with this method.
Error termination via Lnk1e in /opt/cluster/gaussian/g03/l1.exe at Thu May  6 15:56:40 2010.
Job cpu time:  0 days  0 hours  0 minutes  0.2 seconds.
File lengths (MBytes):  RWF=      8 Int=      0 D2E=      0 Chk=      1 Scr=      1

Çë¸÷λ°ïæ¡£×ż±ÖС£¡£¡£¡£¡£¡£¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

lixiaona158

ľ³æ (ÖøÃûдÊÖ)

×ÔÓÉÈË

ÎÒÓõÄ3£¬Èý²½×ãÒÔ¡£
8Â¥2010-05-11 17:06:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

wxjbuilder

ľ³æ (ÖªÃû×÷¼Ò)

lixiaona158(½ð±Ò+1): 2010-05-07 10:13:46
ºÃÏñÊǸñʽ²»¶Ô£¬Òª°Ña0ºÍepsµÄÊýÖµ·Åµ½×ø±êµÄºóÃæ¡£¾ßÌå²éÔÄһϸß˹ÊÖ²á
ÓÆÓÆÌìµØ£¬ÄκζÀÁ¢²Ô㣿
2Â¥2010-05-06 22:02:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lixiaona158

ľ³æ (ÖøÃûдÊÖ)

×ÔÓÉÈË

ÎÒ¶¼²éÁË£¬¸ß˹ÉÏûÓоßÌåµÄ˵Ã÷¡£ÄÜÏêϸָµãÏÂÂð£¿
3Â¥2010-05-07 10:14:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wxjbuilder

ľ³æ (ÖªÃû×÷¼Ò)

¡ï ¡ï ¡ï
aylayl08(½ð±Ò+1):лл»Ø¸´ 2010-05-07 18:18:11
heyo_123(½ð±Ò+2):¹ÄÀøÓ¦Öú£¡£¡ 2010-05-11 17:32:53
#p td(nstates=2,root=1,triplets) b3lyp/lanl2dz SCRF=(dipole, A0=6.93, Dielectric=2.379)ÊÔһϰÉ
ÓÆÓÆÌìµØ£¬ÄκζÀÁ¢²Ô㣿
4Â¥2010-05-07 10:50:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ 070300 ѧ˶ 336·Ö Çóµ÷¼Á +4 vvÃÔ 2026-03-22 4/200 2026-03-22 23:29 by king123£¡
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«»ª´óѧ»¯Ñ§070300£¬Çóµ÷¼Á +7 2117205181 2026-03-21 8/400 2026-03-22 22:55 by chixmc
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£½»´óÉúÎïÓëҽҩר˶324·Ö£¬Çóµ÷¼Á +3 jiajunX 2026-03-22 3/150 2026-03-22 19:32 by brblmd
[¿¼ÑÐ] 284Çóµ÷¼Á +5 Zhao anqi 2026-03-22 5/250 2026-03-22 17:38 by barlinike
[¿¼ÑÐ] 291 Çóµ÷¼Á +3 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 3/150 2026-03-22 14:26 by ColorlessPI
[¿¼ÑÐ] 354Çóµ÷¼Á +7 Tyoumou 2026-03-18 10/500 2026-03-22 11:11 by ÈËÀ´Ê¢
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +5 yzysaa 2026-03-21 5/250 2026-03-21 22:12 by peike
[¿¼ÑÐ] 311Çóµ÷¼Á +3 Ó¸ҵÄСÎâ 2026-03-20 3/150 2026-03-21 17:40 by ColorlessPI
[¿¼ÑÐ] 265Çóµ÷¼Á +12 ÁºÁºÐ£Ð£ 2026-03-19 14/700 2026-03-21 13:38 by lature00
[¿¼ÑÐ] 332Çóµ÷¼Á +3 ·ï»ËÔº¶¡Õæ 2026-03-20 3/150 2026-03-21 10:27 by luoyongfeng
[¿¼ÑÐ] 265Çóµ÷¼Á +9 ÁºÁºÐ£Ð£ 2026-03-17 9/450 2026-03-21 02:17 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÄÏʦ´ó 070300£¨»¯Ñ§£©304·ÖÇóµ÷¼Á +3 0703ÎäÜ·»ÛÑ©304 2026-03-18 3/150 2026-03-21 00:48 by JourneyLucky
[¿¼ÑÐ] 22408 344·Ö Çóµ÷¼Á Ò»Ö¾Ô¸ »ªµç¼ÆËã»ú¼¼Êõ +4 solanXXX 2026-03-20 4/200 2026-03-20 23:49 by alg094825
[¿¼ÑÐ] 261ÇóBÇøµ÷¼Á£¬¿ÆÑо­Àú·á¸» +3 Å£Ä̺Üæ 2026-03-20 4/200 2026-03-20 19:34 by JourneyLucky
[¿¼ÑÐ] 08¹¤Ñ§µ÷¼Á +5 Óû§573181 2026-03-20 5/250 2026-03-20 15:47 by xia_2003
[¿¼ÑÐ] Çóµ÷¼Á +3 °µÓ¿afhb 2026-03-16 3/150 2026-03-20 00:28 by ºÓÄÏ´óѧУÓÑ
[¿¼ÑÐ] 312Çóµ÷¼Á +8 İå·Ï£ 2026-03-16 9/450 2026-03-18 12:39 by Linda Hu
[¿¼ÑÐ] 301Çóµ÷¼Á +4 A_JiXing 2026-03-16 4/200 2026-03-17 17:32 by ruiyingmiao
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ä¿ya_~ 2026-03-17 5/250 2026-03-17 09:25 by Winj1e
[¿¼ÑÐ] 333Çóµ÷¼Á +3 ÎÄ˼¿Í 2026-03-16 7/350 2026-03-16 18:21 by ÎÄ˼¿Í
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û