²é¿´: 23681  |  »Ø¸´: 123

Äô¾°

ľ³æ (СÓÐÃûÆø)


ÄúºÃ£¬ÎÒ¿´ÄãµÄÌû×Ó£¬ÎÒ¸Õ¿ªÊ¼Ëã¸ß˹£¬Ëã³öÀ´Ö®ºó£¬ºÍÄãµÄ¶Ô±í£¬ÎÒµÄΪʲôûÓÐÄǸöÄÜÁ¿ÄØTotal Energy, E(TD-HF/TD-KS) =  -2576.44057633  £¬Çë½Ì£¬¸øÎÒЩ½âÊͽâÊÍߣ¬Ð»Ð»°¡
Excitation energies and oscillator strengths:

Excited State   1:      Singlet-A      3.1510 eV  393.47 nm  f=0.1837  <S**2>=0.000
     131 ->133        -0.11393
     132 ->133         0.68494
This state for optimization and/or second-order correction.
Copying the excited state density for this state as the 1-particle RhoCI density.

Excited State   2:      Singlet-A      3.3324 eV  372.05 nm  f=0.3938  <S**2>=0.000
     131 ->133         0.65034
     131 ->135         0.10558
     132 ->133         0.12954
     132 ->134        -0.14113

Excited State   3:      Singlet-A      3.5116 eV  353.07 nm  f=0.3639  <S**2>=0.000
     131 ->133         0.13000
     132 ->134         0.68504
SavETr:  write IOETrn=   770 NScale= 10 NData=  16 NLR=1 LETran=      62.
59Â¥2016-03-04 16:58:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sunjunshan79

ľ³æ (ÕýʽдÊÖ)


60Â¥2016-03-06 21:47:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Èýʯ²Ý¼À

ľ³æ (ÕýʽдÊÖ)


ʦ¸ç£¬ÎÒ°ëÒ¹¿´ÄãµÄÌû×Ó£¬¾¹È»Ã»ÓÐÀ§ÒâÁË

·¢×ÔСľ³æIOS¿Í»§¶Ë
68Â¥2016-05-16 00:05:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ʧ°ÜµÄ·ÈË

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡·Ç³£ºÃ£¬ÊÊÓÃ
78Â¥2016-08-23 08:57:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

º²ÁÖ1015

ľ³æ (ÕýʽдÊÖ)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

Ê®·Ö¸Ðл°¡
85Â¥2016-11-14 21:31:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÒÒõ£±½°·

Òø³æ (СÓÐÃûÆø)


86Â¥2016-11-14 23:34:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dl900204

ľ³æ (ÕýʽдÊÖ)


87Â¥2016-11-16 22:52:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ãú±ç++

гæ (³õÈëÎÄ̳)


¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶,ÓÅÐãÍÆ¼ö

¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡Ñ§Ï°ÁË
89Â¥2016-12-06 13:54:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fubest

Ìú¸Ëľ³æ (ÕýʽдÊÖ)


91Â¥2016-12-14 10:49:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
Quan.51Â¥
2016-01-13 04:31   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Quan.52Â¥
2016-01-13 04:33   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhangfb53Â¥
2016-01-15 11:01   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
dayong15354Â¥
2016-01-21 03:23   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hfyzai12355Â¥
2016-01-21 15:09   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
hfyzai12356Â¥
2016-01-21 15:11   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
bhhuangjh57Â¥
2016-01-29 09:57   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
niyifeng58Â¥
2016-02-21 13:33   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-04-16 11:33   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
njust_sce62Â¥
2016-04-21 16:26   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
qyyos63Â¥
2016-04-29 17:11   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
qyyos64Â¥
2016-04-29 17:16   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
huang.sheng65Â¥
2016-05-13 13:01   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
huang.sheng66Â¥
2016-05-13 13:02   »Ø¸´  
huang.sheng67Â¥
2016-05-13 13:05   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Osccar94569Â¥
2016-06-27 16:50   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Osccar94570Â¥
2016-06-27 16:51   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
YunJieDh71Â¥
2016-06-28 19:25   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
maksims72Â¥
2016-07-08 11:54   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ghlsx73Â¥
2016-07-11 15:05   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-07-20 17:10   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-07-27 09:52   »Ø¸´  
ÎåÐÇºÃÆÀ  ¸Ðл·ÖÏí£¡
horizon8476Â¥
2016-08-08 22:08   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
huilaoshu99977Â¥
2016-08-17 18:51   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
ykang_elliot79Â¥
2016-09-01 18:43   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-10-11 11:13   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-10-11 11:19   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-10-27 21:07   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
2016-10-31 16:20   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
chemdavid84Â¥
2016-11-02 15:25   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Ò¶–?88Â¥
2016-11-22 10:03   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
zhangxsioc90Â¥
2016-12-13 20:12   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
Îäëë92Â¥
2016-12-28 15:24   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
loveme93Â¥
2017-01-06 01:33   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wirener94Â¥
2017-02-15 10:05   »Ø¸´  
ÈýÐÇºÃÆÀ  
2017-03-06 16:48   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
huangxc8296Â¥
2017-03-08 18:34   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
gangcheng97Â¥
2017-06-29 14:26   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
debai98Â¥
2017-08-15 19:28   »Ø¸´  
¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wofjg200899Â¥
2017-09-04 15:24   »Ø¸´  
ÎåÐÇºÃÆÀ  ¶¥Ò»Ï£¬¸Ðл·ÖÏí£¡
wofjg2008100Â¥
2017-09-04 15:25   »Ø¸´  
Ëͺ컨һ¶ä
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ С·¶·¶1989 µÄÖ÷Ìâ¸üÐÂ
¡î ÎÞÐǼ¶ ¡ï Ò»ÐǼ¶ ¡ï¡ï¡ï ÈýÐǼ¶ ¡ï¡ï¡ï¡ï¡ï ÎåÐǼ¶
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ÃæÉϺ¯ÆÀÒâ¼û³öÀ´ÁË£¬ÏñʲôµÈ¼¶£¿ 20+4 Tsingking1 2026-08-27 17/850 2026-09-01 19:51 by ³¬¼¶Î޵лª×Ó
[»ù½ðÉêÇë] Ϊʲô×ÊÖúÊý¸÷´ó¸ßУ¶¼´´Ð¸ߣ¬×Ô¼ºÉêÇëÔõô¾ÍÕâôÄÑ +13 Kittylucky 2026-08-27 14/700 2026-09-01 11:06 by feng6531
[»ù½ðÉêÇë] Ôõô¿´Çà»ùÖÐÁËûÓа¡ +6 Ò¶¾Å΢ 2026-08-26 6/300 2026-08-31 23:54 by yudaoqian88
[»ù½ðÉêÇë] ÃæÉÏÒâ¼û³öÀ´ÁË +12 »ÆÄñÓÚ·ÉChao 2026-08-29 23/1150 2026-08-31 18:57 by »ÆÄñÓÚ·ÉChao
[»ù½ðÉêÇë] 29ºÅÃ÷Ìì»áÆÀÂð +4 ±¿±¿ÌÆ 2026-08-28 4/200 2026-08-31 09:30 by huixian257
[»ù½ðÉêÇë] Ϊʲôµ½ÏÖÔÚûÊÕµ½Í¨Öª£¿ +5 tannykie 2026-08-29 5/250 2026-08-30 21:05 by purplejack
[»ù½ðÉêÇë] ÓÐûÓÐÈÔûÊÕµ½ÐÅÏ¢µÄ +7 µÂÉÐÖÐÐÐ 2026-08-27 8/400 2026-08-30 20:52 by purplejack
[¿¼²©] ÕÒµ¼Ê¦ +6 yuanjiabao 2026-08-29 7/350 2026-08-30 14:40 by Éú¿ÆÐÂÊÖ
[»ù½ðÉêÇë] ÎÒ¾ÍÊÇÉêÇëÒ»¸öÃæÉÏÏîÄ¿¶øÒÑ£¬ÕâÆÀÉóÒâ¼ûÊǰ´ÕÕ½ÜÇàµÄÌõ¼þÆÀµÄ°É£¿ +6 gouxfjh 2026-08-28 11/550 2026-08-30 07:57 by gouxfjh
[»ù½ðÉêÇë] ¹ú×ÔÈ»ÆÀÉóÒâ¼û +13 wangmingqi 2026-08-28 19/950 2026-08-29 10:22 by Poppy1104
[»ù½ðÉêÇë] ϵͳ²é²»µ½ +11 ¶­°Ëǧ 2026-08-26 11/550 2026-08-28 18:06 by Leogzhya
[»ù½ðÉêÇë] ¿´°åÉÏÕâô¶àÖеģ¬ÓеãÏñ50ÈËȺÀï49¸öÈ˶¼ÊÇÆ­×ÓµÄÄÇÖָоõ¡­¡­ +5 a089 2026-08-26 6/300 2026-08-27 14:05 by jonewore
[»ù½ðÉêÇë] Ϊʲô ¹ú¼Ê(µØÇø)ºÏ×÷Óë½»Á÷ÏîÄ¿ ûÓзŰñ£¿ 10+3 majunge000 2026-08-26 11/550 2026-08-27 08:42 by ±±¾©À³Òð±à¼­
[»ù½ðÉêÇë] ³öÀ´ÁË +9 trojank 2026-08-26 9/450 2026-08-26 14:25 by ±¦±´³æ×Ó
[»ù½ðÉêÇë] ¹úºÏÀïÃæÄÜ¿´µ½ÁË +7 Ò»»³Ü°Çï 2026-08-26 7/350 2026-08-26 11:23 by zhaosm1982
[»ù½ðÉêÇë] ¹ú¼ÊºÏ×÷¿É²éÁË£¬ÖÐÁËÃæÉÏ (EPI+1)(½ð±Ò+50) +18 Ldrop2023 2026-08-26 18/900 2026-08-26 11:15 by cmrandy
[»ù½ðÉêÇë] ϵͳ½ø²»È¥ +4 yanglien 2026-08-26 5/250 2026-08-26 11:10 by wenfengw83
[»ù½ðÉêÇë] ÏîÄ¿ÐÅÏ¢ºÍ¾­·ÑÐÅÏ¢ÔÚϵͳÀï¶¼¿ÉÒÔ¿´µ½ÁË +6 wittyboy 2026-08-26 14/700 2026-08-26 10:55 by wittyboy
[»ù½ðÉêÇë] ¹úºÏ¿É²éÁË +3 paperzjh 2026-08-26 3/150 2026-08-26 10:41 by LemmonTr
[»ù½ðÉêÇë] Å£À´£¡Ã×À´£¡ÃæÀ´£¡ +8 beefly 2026-08-26 8/400 2026-08-26 08:37 by xuzhipiao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û