| ²é¿´: 1785 | »Ø¸´: 5 | |||
haixia689½ð³æ (СÓÐÃûÆø)
|
[ÇóÖú]
ÇëÎÊEMSL basis set exchangeÍøÕ¾²»ÔÙÃâ·ÑÁËÂð
|
|
×î½ü£¬Ïë´ÓEMSL basis set exchangeÖÐÕÒdef2£TZVPP»ù×飬µ«ÊÇ×î½ü¼¸ÌìÊÔÁ˼¸´Î£¬×ÜÊÇÏÔÊ¾ÍøÕ¾²»´æÔÚ£¬ÇëÎÊ´ó¼ÒÓöµ½ÀàËÆÎÊÌâû£¿Õâ¸öÍøÕ¾²»ÔÙÃâ·ÑÁËÂ𣿠ÁíÍ⣬Çë½ÌÖî룬»¹ÓÐʲôÇþµÀ¿ÉÒÔÕÒµ½gaussian def2£TZVPPµÄÊäÈë»ù×飿 Thanks so much! |
» ²ÂÄãϲ»¶
ÄÜÔ´»·¾³Ð²ÄÁÏÑо¿ÍÅ¶Ó µ¼Ê¦½éÉÜ Ñо¿ÉúÕÐÉú
ÒѾÓÐ0È˻ظ´
348 Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ55È˻ظ´
ÕÐÊÕ ²ÄÁÏ¡¢ÐÂÄÜÔ´¡¢Ò±½ð¡¢»¯¹¤¡¢»·¾³ µÈ¹¤¿ÆÀ࿼Éú
ÒѾÓÐ2È˻ظ´
ÕÐÊÕ ÐÂÄÜÔ´¡¢Ò±½ð¡¢²ÄÁÏ¡¢»¯¹¤¡¢»·¾³ µÈ¹¤¿ÆÀ࿼Éú
ÒѾÓÐ0È˻ظ´
393Çóµ÷¼ÁÍÆ¼ö
ÒѾÓÐ1È˻ظ´
ÄÜÔ´»·¾³Ð²ÄÁÏÑо¿ÍÅ¶Ó ÕÐÊÕ ÐÂÄÜÔ´¡¢Ò±½ð¡¢²ÄÁÏ¡¢»¯¹¤¡¢»·¾³ µÈ¹¤¿ÆÀ࿼Éú
ÒѾÓÐ0È˻ظ´
ÄÜÔ´»·¾³Ð²ÄÁÏÑо¿ÍÅ¶Ó ÕÐÊÕ ÐÂÄÜÔ´¡¢Ò±½ð¡¢²ÄÁÏ¡¢»¯¹¤¡¢»·¾³ µÈ¹¤¿ÆÀàÑо¿Éú
ÒѾÓÐ0È˻ظ´
Î人·ÄÖ¯´óѧ½ÌÓý²¿ÖصãʵÑéÊÒµ÷¼Á
ÒѾÓÐ0È˻ظ´
ÕÐÉú²ÄÁÏÓ뻯¹¤¡¢»·¾³¿ÆÑ§µ÷¼ÁÑо¿Éú
ÒѾÓÐ5È˻ظ´
ÄÜÔ´»·¾³Ð²ÄÁÏÑо¿ÍÅ¶Ó Ñо¿Éúµ÷¼ÁÕÐÉú
ÒѾÓÐ0È˻ظ´
luqing6879
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 8 (Ó×¶ùÔ°)
- ½ð±Ò: 3571
- É¢½ð: 249
- ºì»¨: 3
- Ìû×Ó: 1907
- ÔÚÏß: 808.3Сʱ
- ³æºÅ: 614833
- ×¢²á: 2008-09-28
- רҵ: ÀíÂۺͼÆË㻯ѧ

2Â¥2012-12-11 05:53:15
haixia689
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 2 (Ó×¶ùÔ°)
- ½ð±Ò: 725.4
- É¢½ð: 20
- ºì»¨: 1
- Ìû×Ó: 226
- ÔÚÏß: 70.6Сʱ
- ³æºÅ: 539088
- ×¢²á: 2008-04-03
- ÐÔ±ð: MM
- רҵ: ÀíÂۺͼÆË㻯ѧ
3Â¥2012-12-11 08:13:33
haixia689
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 2 (Ó×¶ùÔ°)
- ½ð±Ò: 725.4
- É¢½ð: 20
- ºì»¨: 1
- Ìû×Ó: 226
- ÔÚÏß: 70.6Сʱ
- ³æºÅ: 539088
- ×¢²á: 2008-04-03
- ÐÔ±ð: MM
- רҵ: ÀíÂۺͼÆË㻯ѧ
4Â¥2012-12-11 08:15:21
luqing6879
ľ³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 8 (Ó×¶ùÔ°)
- ½ð±Ò: 3571
- É¢½ð: 249
- ºì»¨: 3
- Ìû×Ó: 1907
- ÔÚÏß: 808.3Сʱ
- ³æºÅ: 614833
- ×¢²á: 2008-09-28
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
|
Thank you^_^ It says I need to type more words to be considered as "Ó¦ÖúÌù". So I am here to blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah blah |

5Â¥2012-12-12 04:33:24
0502114073
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 4710.3
- É¢½ð: 2559
- ºì»¨: 9
- Ìû×Ó: 381
- ÔÚÏß: 525Сʱ
- ³æºÅ: 881239
- ×¢²á: 2009-10-23
- רҵ: ÀíÂۺͼÆË㻯ѧ
6Â¥2013-01-02 11:17:21














»Ø¸´´ËÂ¥