| ²é¿´: 1713 | »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»¶
³ÏÑûÓÐ־֮ʿ¼ÓÈë½ËÕ´óѧ»·¾³Ñ§ÔººÏ³ÉÉúÎïѧ¿ÎÌâ×飡(³¤ÆÚ½ÓÊÕѧ˶ר˶¡¢Ë¶²©Á¬¶Á)
ÒѾÓÐ16È˻ظ´
Ò»Ö¾Ô¸ÄÏ´óÀíÂÛÓë¼ÆË㻯ѧ·½Ïò£¨070300£©342·Ö£¬Çóµ÷¼Á
ÒѾÓÐ1È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ169È˻ظ´
»¶Ó»¯Ñ§¡¢»¯¹¤¡¢ÎïÀí¡¢²ÄÁÏ¡¢»ò¼ÆËã»ú±³¾°µÄ¿¼ÑÐ×Éѯ
ÒѾÓÐ0È˻ظ´
ºÓÄÏÀí¹¤´óѧ»¯¹¤Ñ§ÔºÕÐÊÕµ÷¼ÁÉúÀ²£¡
ÒѾÓÐ1È˻ظ´
ºþÄÏ´óѧÁõÇÉÁá¿ÎÌâ×é2026Ä격ʿÑо¿ÉúÕÐÉúÐÅÏ¢
ÒѾÓÐ28È˻ظ´
ÄÏ·½¿Æ¼¼´óѧ±íÃæ´ß»¯·´Ó¦¶¯Á¦Ñ§Ñо¿¿ÎÌâ×éÕÐÊÕ2026½ì²©Ê¿Éú
ÒѾÓÐ1È˻ظ´
ÕÐÊÕ²©Ê¿Ò»Ãû-Äþ²¨´óѧ
ÒѾÓÐ0È˻ظ´
±±¾©Óʵç´óѧÎïÀíѧԺÀÏʦÕÐÊÕ²©Ê¿Éú
ÒѾÓÐ3È˻ظ´
Comsol 6.0 ͰÄÚ·ÊÁϲúÈȲúʪ¹ý³ÌÄ£ÄâÇóÖú
ÒѾÓÐ1È˻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¥
28