| ²é¿´: 4357 | »Ø¸´: 8 | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
whiteÑ©¶ù½ð³æ (СÓÐÃûÆø)
|
[ÇóÖú]
ʹÓÃforciteÄ£¿é½øÐÐÍË»ð£¬×ÜÊÇʧ°Ü¡£Çó°ïÖú½â´ð£¡ ÒÑÓÐ1È˲ÎÓë
|
||
|
ÈçÌ⣬ÍË»ð×ÜÊÇʧ°Ü£¬²é¿´logÒ²¿´²»¶®¡£ ÿ´ÎÍ˻𣬶¼ÓÐÕâ3¸öerror£¬ºÍ×îºóµÄwarn£ºÎļþÁôÔÚÔ¶³Ì·þÎñÆ÷ÉÏ£¬ÐèÒªÊÖ¶¯´¦Àí£¿ ÓÐÓöµ½Í¬ÑùÎÊÌâµÄÂ𣿠ÇóÖú°¡ {)9O}OXMO]1D{O(9S734Z9U.png |
» ²ÂÄãϲ»¶
298Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
263Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
276Çóµ÷¼Á¡£ÓаëÄêµç³ØºÍ°ëÄê¸ß·Ö×Óʵϰ¾Àú
ÒѾÓÐ6È˻ظ´
Çóµ÷¼Á²ÄÁÏѧ˶080500£¬×Ü·Ö289·Ö
ÒѾÓÐ21È˻ظ´
±±¿Æ281ѧ˶²ÄÁÏÇóµ÷¼Á
ÒѾÓÐ8È˻ظ´
2026»¯Ñ§µ÷¼Á
ÒѾÓÐ3È˻ظ´
08¹¤Ñ§µ÷¼Á
ÒѾÓÐ9È˻ظ´
291 Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
070300»¯Ñ§Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
085600²ÄÁÏÓ뻯¹¤
ÒѾÓÐ10È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
ForciteÖеÄCompassÁ¦³¡ÓëDiscoverÖеÄcompassÒ»ÑùÂð£¿
ÒѾÓÐ0È˻ظ´
Çó°ïÖúÎÒµÄMS7.0ÆäËüÄ£¿é¶¼¿ÉÒÔʹÓà forciteÄ£¿é Ò»Ö±²»ÐС£
ÒѾÓÐ2È˻ظ´
MS 7.0ÖÐÆäËûÄ£¿éÔËÐÐÕý³££¬Ö»ÓÐforciteÄ£¿éÎÞ·¨ÔËÐУ¬Çó½â
ÒѾÓÐ21È˻ظ´
materials studio³ÌÐòÀïforciteÄ£¿é¹ØÓÚÍË»ðºóÄÜÁ¿·ÖÎö
ÒѾÓÐ0È˻ظ´
MS-Sorption Ä£¿éÄ£ÄâµÄFHÊÆÁ¿×ÓЧӦºÍ¦ÌPTϵ×ÛÇóÖú
ÒѾÓÐ21È˻ظ´
ÈçºÎÔÚDiscoverÄ£¿éÖÐʹÓÃuniversalÁ¦³¡
ÒѾÓÐ1È˻ظ´
Forcite Ä£¿é MatServer has finished with no outputfile.
ÒѾÓÐ0È˻ظ´
ʹÓÃMSµÄAmorphous cell, DiscoverÄ£¿éÄ£ÄâË®·Ö×ÓµÄ×ÔÀ©É¢ÏµÊýÀýÌâ
ÒѾÓÐ181È˻ظ´
forcite×ö¶¯Á¦Ñ§¼ÆËã³ö´íÁË£¬ÄÄλ°ïæ¿´Ò»ÏÂÊÇʲôÔÒò
ÒѾÓÐ11È˻ظ´
MS³ÌÐòµÄforciteÄ£¿éÖв»Í¬Ô¼Êø²î±ðÌ«´óÊÇÔõô»ØÊ£¿
ÒѾÓÐ22È˻ظ´
MS ·Ö×ÓÄ£Äâ ForciteÄ£¿éÇóÖú
ÒѾÓÐ1È˻ظ´
xtdת»»Îªxyz×ø±ê£¬¿ÉʹÓÃvmd´ò¿ª
ÒѾÓÐ18È˻ظ´
ForciteºÍDiscoverÁ¦³¡ÎÊÌâ
ÒѾÓÐ5È˻ظ´
¸öÈË×ܽáÓйØMSµÄ¸÷ÖÖÎÊÌ⣨µÚÒ»¼¾£©
ÒѾÓÐ708È˻ظ´
¡¾×ÊÔ´¡¿¼ÆËã¾§°û²ÎÊýÈí¼þ materials studio 5.0 ÏÂÔØ
ÒѾÓÐ52È˻ظ´
¡¾×ªÌû¡¿Materials Studio5.0ÖеÄм¼Êõ
ÒѾÓÐ28È˻ظ´
whiteÑ©¶ù
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 3175.5
- É¢½ð: 20
- Ìû×Ó: 236
- ÔÚÏß: 77.8Сʱ
- ³æºÅ: 1774138
- ×¢²á: 2012-04-23
- רҵ: ¸ß·Ö×ÓÎïÀíÓë¸ß·Ö×ÓÎïÀí»¯
|
Ó¦¸Ã¾ÍÊÇ×öÄÜÁ¿×îС»¯£¬ÍË»ð»¹Ê§°ÜµÄ»°ÔÙÄÜÁ¿×îС»¯¡£ÎÒ×î½üûÓÐÔÚ×ö£¬ÎÒÖ»ÊÇÕâÑùÏëµÄ¡£ ·¢×ÔСľ³æAndroid¿Í»§¶Ë |
9Â¥2015-12-31 20:06:23
whiteÑ©¶ù
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 3175.5
- É¢½ð: 20
- Ìû×Ó: 236
- ÔÚÏß: 77.8Сʱ
- ³æºÅ: 1774138
- ×¢²á: 2012-04-23
- רҵ: ¸ß·Ö×ÓÎïÀíÓë¸ß·Ö×ÓÎïÀí»¯
2Â¥2015-12-21 21:50:53
whiteÑ©¶ù
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 1 (Ó×¶ùÔ°)
- ½ð±Ò: 3175.5
- É¢½ð: 20
- Ìû×Ó: 236
- ÔÚÏß: 77.8Сʱ
- ³æºÅ: 1774138
- ×¢²á: 2012-04-23
- רҵ: ¸ß·Ö×ÓÎïÀíÓë¸ß·Ö×ÓÎïÀí»¯
|
ÕÒµ½´íÎóÎļþÀ² Dynamics calculation - Deviation in total energy (5.88304e+026 kcal/mol) between successive steps was greater than the specified maximum (50000 kcal/mol).Try relaxing the structure with geometry optimization, reducing the time step,reducing the temperature or a combination of these.¡± ÊDz»ÊÇÐèÒª¼ÌÐøÄÜÁ¿×îС»¯£¬È»ºó²ÅÄÜÍ˻𣿠|
3Â¥2015-12-22 17:06:11
Friday
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 6 (Ó×¶ùÔ°)
- ½ð±Ò: 308.5
- É¢½ð: 10
- ºì»¨: 2
- Ìû×Ó: 50
- ÔÚÏß: 12Сʱ
- ³æºÅ: 4265492
- ×¢²á: 2015-12-04
- רҵ: Í¿ÁÏ
4Â¥2015-12-23 15:42:27













»Ø¸´´ËÂ¥
5