| ²é¿´: 3398 | »Ø¸´: 12 | ||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | ||
yoyo103108ͳæ (СÓÐÃûÆø)
|
[ÇóÖú]
Gaussian 03ÓÅ»¯½á¹¹
|
|
|
ÇëÎÊ£¬ÓÃGAUUSSIAN03¼¸ºÎÓÅ»¯³öÏÖÕâÖÖÎÊÌâÊÇÔõô»ØÊ£¿ WE ARE REACHING THE STAGE WHERE THE PROBLEMS WE MUST SOLVE ARE GOING TO BECOME INSOLUBLE WITHOUT COMPUTERS. I DO NOT FEAR COMPUTERS. I FEAR THE LACK OF THEM. -- ISSAC ASIMOV Error termination request processed by link 9999. Error termination via Lnk1e in /usr/g03/l9999.exe at Wed May 22 14:25:54 2013. Job cpu time: 1 days 5 hours 51 minutes 17.5 seconds. File lengths (MBytes): RWF= 250 Int= 0 D2E= 0 Chk= 26 Scr= 1 |
» ²ÂÄãϲ»¶
ÖÐÄÏ´óѧ»¯Ñ§»¯¹¤Ñ§ÔºÕÐÊÕµç³Ø´¢ÄÜ¡¢ÀíÂÛ¼ÆËã·½Ïò²©Ê¿Éú
ÒѾÓÐ16È˻ظ´
ÇëÎÊÄÄÀï¿ÉÒÔ´úÉÕ´øÑ¹Á¦µÄ¯×Ó£¿
ÒѾÓÐ6È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ94È˻ظ´
¹ØÓںϳÉMIL-125µÄÇóÖú
ÒѾÓÐ0È˻ظ´
Ë«·Ç±¾Ë¶¹â´ß»¯·½ÏòÏë¶Á²©£¬Çë¸÷λÀÏʦ¿´¿´ÎÒ£¡
ÒѾÓÐ2È˻ظ´
ÈðµäÁÖѩƽ´óѧ·¶Á¢ÖÞ¿ÎÌâ×éÏÖÕÐÆ¸²©Ê¿ºó¡¢¸ÚÎ»ÖÆ²©Ê¿Éú
ÒѾÓÐ0È˻ظ´
Öйú¿Æ´ó·ÂÉú½çÃæ²ÄÁÏ¿ÆÑ§È«¹úÖØµãʵÑéÊÒ´÷ܲÌÎÑо¿Ô±/½À×ԺʿÍŶÓÕÐÆ¸¿ÆÑÐÖúÀí
ÒѾÓÐ0È˻ظ´
Öйú¿Æ´ó·ÂÉú½çÃæ²ÄÁÏ¿ÆÑ§È«¹úÖØµãʵÑéÊÒ´÷ܲÌÎÑо¿Ô±/½À×ԺʿÍŶÓÕÐÆ¸¿ÆÑÐÖúÀí
ÒѾÓÐ0È˻ظ´
ѰÇóÎïÀí»¯Ñ§Ñ§±¨×îеÄͶ¸åÄ£°å£¡
ÒѾÓÐ4È˻ظ´
Ͷ¸å×Éѯ
ÒѾÓÐ7È˻ظ´
×Ô¿ÆÃæÉÏ É¢½ð±Ò Æí¸£
ÒѾÓÐ61È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
Gaussian½á¹¹ÓÅ»¯ÎÊÌ⣡£¡£¡
ÒѾÓÐ6È˻ظ´
Gaussian 09ÖÐÓÅ»¯¹ØÓÚThÔ×ӵĽṹ³öÏÖÎÊÌâ
ÒѾÓÐ4È˻ظ´
ÓÃGaussian03»ò09£¬MP2(full)/aug-cc-pvdzÈçºÎÓÅ»¯HI£¿
ÒѾÓÐ8È˻ظ´
gaussian ÊÇÈçºÎ½øÐв¿·ÖÓÅ»¯µÄ£¿
ÒѾÓÐ5È˻ظ´
NH4Cl½á¹¹ÓÅ»¯
ÒѾÓÐ6È˻ظ´
GaussianÓÅ»¯³ö´í£¬ÇóÖú£¬Ð»Ð»
ÒѾÓÐ9È˻ظ´
Çë½Ì¹ØÓÚÁãµãÄÜУÕýµÄÎÊÌâ
ÒѾÓÐ5È˻ظ´
GaussianÖзÖ×ÓµÄÃèÊöÓÐÄÄЩ£¬ºÜ³£¼ûµÄ»¯ºÏÎïÃèÊöǰÊÇ·ñÒª½øÐнṹÓÅ»¯ÄØ£¿
ÒѾÓÐ8È˻ظ´
Gaussian 03¼ÆËã¹ý¶É̬ÎÊÌâ
ÒѾÓÐ4È˻ظ´
¡¾ÇóÖú¡¿gaussian ÓÅ»¯µÄ½á¹¹ºÏÀíÂð
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿½á¹¹ÓÅ»¯²»ÊÕÁ²
ÒѾÓÐ9È˻ظ´
¡¾ÌÖÂÛ¡¿gaussianÓÅ»¯¹ý³ÌÖоßÌåÔÚÖ´ÐÐʲô²Ù×÷
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿GaussianÖÐÏÞÖÆÐÔÓÅ»¯
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿µ¥Öؼ¤·¢Ì¬µÄ¸ß˹Ëã·¨
ÒѾÓÐ29È˻ظ´
139564@chen
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 2170.6
- ºì»¨: 1
- Ìû×Ó: 134
- ÔÚÏß: 227.3Сʱ
- ³æºÅ: 1607763
- ×¢²á: 2012-02-09
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

4Â¥2013-07-10 09:51:15
stalart
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 284 (´óѧÉú)
- ½ð±Ò: 1541.4
- ºì»¨: 9
- Ìû×Ó: 488
- ÔÚÏß: 129Сʱ
- ³æºÅ: 1986267
- ×¢²á: 2012-09-09
- רҵ: ÀíÂۺͼÆË㻯ѧ
2Â¥2013-05-22 22:05:32
dai_shen844
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 36 (СѧÉú)
- ½ð±Ò: 1118.7
- É¢½ð: 100
- ºì»¨: 2
- Ìû×Ó: 275
- ÔÚÏß: 96.7Сʱ
- ³æºÅ: 1721764
- ×¢²á: 2012-03-28
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

3Â¥2013-05-23 17:49:59
zy54382
Òø³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 23 (СѧÉú)
- É¢½ð: 544
- ºì»¨: 1
- Ìû×Ó: 1156
- ÔÚÏß: 708.4Сʱ
- ³æºÅ: 1278356
- ×¢²á: 2011-04-26
- ÐÔ±ð: GG
- רҵ: ¹âѧºÍ¹âµç×Ó²ÄÁÏ

5Â¥2013-07-10 11:19:07









»Ø¸´´ËÂ¥
20