| ²é¿´: 1547 | »Ø¸´: 6 | ||
younggoodͳæ (СÓÐÃûÆø)
|
[ÇóÖú]
ÈܼÁ»¯Ð§Ó¦ÀϳöÏÖ502´íÎó ÒÑÓÐ1È˲ÎÓë
|
|
×î½üËãÄÜÁ¿Ê±£¬Ò»¸ö½á¹¹ÔÚ×öÈܼÁ»¯Ð§Ó¦Ê±ÀϳöÏÖ502´íÎó£¬ÏÂÃæÊÇoutÎļþ×îºó¼¸ÐУ¬Âé·³¶®µÃÈ˸æËßÎÒÊÇÔõô»ØÊ°¡£¬Ð»Ð»À² >>>>>>>>>> Convergence criterion not met. Error on total polarization charges = 0.10839 SCF Done: E(RB3LYP) = -2789.25550463 A.U. after 129 cycles NFock=128 Conv=0.98D-07 -V/T= 2.0305 SMD-CDS (non-electrostatic) energy (kcal/mol) = -2.45 (included in total energy above) Convergence failure -- run terminated. Error termination via Lnk1e in /opt//g09/l502.exe at Wed Mar 9 14:08:56 2016. Job cpu time: 8 days 14 hours 49 minutes 15.3 seconds. File lengths (MBytes): RWF= 2946 Int= 0 D2E= 0 Chk= 54 Scr= 1 |
» ²ÂÄãϲ»¶
ºÚÁú½Ê¡Ô×ÓÄÜÑо¿Ôº»¯Ñ§¿ÎÌâ×éÕÐÊÕ2026¼¶»¯Ñ§×¨Òµ»ò»¯Ñ§Ïà¹Ø×¨ÒµË¶Ê¿Éú
ÒѾÓÐ0È˻ظ´
¸ßЧ΢ÄÉÃ×´¢ÄܲÄÁÏÓë²úÒµ»¯ÍƽøÊµÑéÊÒ ËÕÖÝ ÕÐÊÕ˶ʿÑо¿Éú£¨º¬µ÷¼Á£©
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ64È˻ظ´
ÎÂÖÝ´óѧÐÂÄÜÔ´²ÄÁÏ΢¹ÛËÝÔ´¿ÎÌâ×éÕÐÊÕ2026¼¶²©Ê¿Ñо¿Éú£¨²ÄÁÏ¡¢»¯Ñ§·½Ïò£©
ÒѾÓÐ6È˻ظ´
²ÄÁÏÓ뻯¹¤ 323 Ó¢Ò»+Êý¶þ+Îﻯ£¬Ò»Ö¾Ô¸£º¹þ¹¤´ó ±¾È˱¾¿ÆË«Ò»Á÷
ÒѾÓÐ5È˻ظ´
26É격
ÒѾÓÐ2È˻ظ´
°ÍÀèÎ÷á·´óѧ£¨Universit¨¦ Paris Cit¨¦£©Fayna MAMMERI µ¼Ê¦Ñ°ÕÒCSC¹«Åɲ©Ê¿Éú
ÒѾÓÐ9È˻ظ´
ÖйúÉ¢ÁÑÖÐ×ÓÔ´³ÏƸ¡°AI²ÄÁϼÆË㡱·½Ïò²©Ê¿ºó/Ö°¹¤
ÒѾÓÐ87È˻ظ´
ÄÜÔ´»·¾³Ð²ÄÁÏÑо¿ÍÅ¶Ó µ¼Ê¦½éÉÜ Ñо¿ÉúÕÐÉú
ÒѾÓÐ0È˻ظ´
ÄÜÔ´»·¾³Ð²ÄÁÏÑо¿ÍÅ¶Ó µ¼Ê¦½éÉÜ Ñо¿ÉúÕÐÉú
ÒѾÓÐ0È˻ظ´
ÄÜÔ´»·¾³Ð²ÄÁÏÑо¿ÍÅ¶Ó µ¼Ê¦½éÉÜ Ñо¿ÉúÕÐÉú
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
¡¾·ÖÏí¡¿HPLCÖùÊ®´óÎóÇø
ÒѾÓÐ31È˻ظ´
С·¶·¶1989
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 123 (¸ßÖÐÉú)
- ½ð±Ò: 3821.3
- É¢½ð: 968
- ºì»¨: 243
- Ìû×Ó: 1979
- ÔÚÏß: 452.8Сʱ
- ³æºÅ: 2013403
- ×¢²á: 2012-09-19
- ÐÔ±ð: GG
- רҵ: Ô×ӺͷÖ×ÓÎïÀí

2Â¥2016-03-09 22:02:01
С·¶·¶1989
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 123 (¸ßÖÐÉú)
- ½ð±Ò: 3821.3
- É¢½ð: 968
- ºì»¨: 243
- Ìû×Ó: 1979
- ÔÚÏß: 452.8Сʱ
- ³æºÅ: 2013403
- ×¢²á: 2012-09-19
- ÐÔ±ð: GG
- רҵ: Ô×ӺͷÖ×ÓÎïÀí

3Â¥2016-03-09 22:02:12
yongleli
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 93 (³õÖÐÉú)
- ½ð±Ò: 3769.1
- É¢½ð: 369
- ºì»¨: 24
- Ìû×Ó: 764
- ÔÚÏß: 101.3Сʱ
- ³æºÅ: 303595
- ×¢²á: 2006-12-03
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
younggood: ½ð±Ò+5 2016-03-14 10:26:02
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
younggood: ½ð±Ò+5 2016-03-14 10:26:02
| Ó¦¸ÃÊǼ¸ºÎ½á¹¹ÓÐʲôÎÊÌâ¡£ÒòΪSMD±Ï¾¹Ò²Òª¼ÆËã·Ö×Ó±íÃætessellation£¬¼¸ºÎÐÎ×´²»ºÃ£¬Ò»À´¿ÉÄÜ»áÓÐÆæµã£¬¶þÀ´±íÃæµçºÉ·Ö²¼²»ºÃ¾Íµ¼ÖÂÁËSCF²»ÊÕÁ²¡£ |
4Â¥2016-03-09 23:42:30
younggood
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 21.8
- É¢½ð: 5
- Ìû×Ó: 115
- ÔÚÏß: 58.8Сʱ
- ³æºÅ: 2439443
- ×¢²á: 2013-04-27
- ÐÔ±ð: MM
- רҵ: ÀíÂۺͼÆË㻯ѧ
5Â¥2016-03-10 09:05:41
yongleli
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 93 (³õÖÐÉú)
- ½ð±Ò: 3769.1
- É¢½ð: 369
- ºì»¨: 24
- Ìû×Ó: 764
- ÔÚÏß: 101.3Сʱ
- ³æºÅ: 303595
- ×¢²á: 2006-12-03
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
6Â¥2016-03-10 16:08:30
younggood
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 21.8
- É¢½ð: 5
- Ìû×Ó: 115
- ÔÚÏß: 58.8Сʱ
- ³æºÅ: 2439443
- ×¢²á: 2013-04-27
- ÐÔ±ð: MM
- רҵ: ÀíÂۺͼÆË㻯ѧ
7Â¥2016-03-11 08:38:54













»Ø¸´´ËÂ¥