| ²é¿´: 251 | »Ø¸´: 2 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
number1xuÒø³æ (ÕýʽдÊÖ)
|
[½»Á÷]
¡¾ÌÖÂÛ¡¿ms²»ÄÜËã
|
||
|
ÎÒÓÃdmol3¼ÆËãʱ,³öÏÖÒ»ÏÂThe model contains multiple hessians, which DMol3 cannot currently handle. Would you like to delete the hessians and continue the calculation? ¸ÃÔõÑù°ìÄØ? |
» ²ÂÄãϲ»¶
285Çóµ÷¼Á
ÒѾÓÐ12È˻ظ´
Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
085600²ÄÁÏÓ뻯¹¤301·ÖÇóµ÷¼ÁԺУ
ÒѾÓÐ19È˻ظ´
277¹¤¿ÆÇóµ÷¼Á
ÒѾÓÐ11È˻ظ´
277Çóµ÷¼Á ÊýÒ»104·Ö
ÒѾÓÐ13È˻ظ´
304Çóµ÷¼Á
ÒѾÓÐ10È˻ظ´
336Çóµ÷¼Á£¬Ò»Ö¾Ô¸Öпƴó
ÒѾÓÐ6È˻ظ´
071000ÉúÎïѧ£¬Ò»Ö¾Ô¸ÉîÛÚ´óѧ296·Ö£¬Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
Ò»Ö¾Ô¸±±¾©»¯¹¤085600 310·ÖÇóµ÷¼Á
ÒѾÓÐ19È˻ظ´
274Çóµ÷¼ÁÇóµ÷¼Á
ÒѾÓÐ7È˻ظ´
jghe
½ð³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 10 (Ó×¶ùÔ°)
- ¹ó±ö: 0.225
- ½ð±Ò: 112.2
- É¢½ð: 5
- ºì»¨: 3
- Ìû×Ó: 1481
- ÔÚÏß: 123Сʱ
- ³æºÅ: 322338
- ×¢²á: 2007-03-11
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
- ¹ÜϽ: Á¿×Ó»¯Ñ§
2Â¥2010-01-13 19:28:15
number1xu
Òø³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 409.9
- Ìû×Ó: 403
- ÔÚÏß: 25.4Сʱ
- ³æºÅ: 908882
- ×¢²á: 2009-11-21
- ÐÔ±ð: GG
3Â¥2010-01-13 20:01:52














»Ø¸´´ËÂ¥