| ²é¿´: 2249 | »Ø¸´: 9 | ||||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | ||||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | ||||
[½»Á÷]
¡¾ÇóÖú¡¿Mulliken²¼¾Ó·ÖÎöÈçºÎ¼ÆËã¹ìµÀ²¼¾Ó
|
||||
|
ͬÌâ¡£ÔÚCASTEP·ÖÎöÖÐÓ¦Óò¼¾Ó·ÖÎöÖ»ÄܼÆËãÔ×ӺͼüµÄ¾»µçºÉ£¬µ«ÓÐÎÄÏ×±¨µÀÓò¼¾Ó·ÖÎöµÃµ½¹ìµÀ²¼¾ÓÊý£¬²»ÖªµÀÔõôµÃÀ´µÄ¡£ [ Last edited by freshgirl on 2009-6-26 at 16:56 ] |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
first principle |
» ²ÂÄãϲ»¶
297£¬¹¤¿Æµ÷¼Á?
ÒѾÓÐ5È˻ظ´
½ÓÊÜÈκε÷¼Á
ÒѾÓÐ6È˻ظ´
22408 312Çóµ÷¼Á
ÒѾÓÐ26È˻ظ´
ÊÕµ½¸´ÊÔµ÷¼Áµ«ÊÇÈ¥²»ÁË
ÒѾÓÐ8È˻ظ´
260Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
¼±Ðèµ÷¼Á
ÒѾÓÐ10È˻ظ´
É격/¿¼²©
ÒѾÓÐ4È˻ظ´
»¯¹¤Ñ§Ë¶294·Ö£¬Çóµ¼Ê¦ÊÕÁô
ÒѾÓÐ37È˻ظ´
Çóµ÷¼Á
ÒѾÓÐ11È˻ظ´
Ò»Ö¾Ô¸»ªÖÐũҵ071010£¬320Çóµ÷¼Á
ÒѾÓÐ19È˻ظ´
gaohuixia
½ð³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 711.5
- Ìû×Ó: 16
- ÔÚÏß: 43.6Сʱ
- ³æºÅ: 332512
- ×¢²á: 2007-03-26
- רҵ: castepÀíÂÛ¼ÆËã
6Â¥2008-05-29 10:15:10
2Â¥2008-05-21 13:56:10
wanghongbo0808
Òø³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 777.5
- Ìû×Ó: 169
- ÔÚÏß: 58·ÖÖÓ
- ³æºÅ: 280446
- ×¢²á: 2006-09-17
- ÐÔ±ð: GG
- רҵ: »¯Ñ§¶¯Á¦Ñ§

3Â¥2008-05-23 09:53:31
scdxchenfang
ľ³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1594.4
- É¢½ð: 30
- ºì»¨: 1
- Ìû×Ó: 462
- ÔÚÏß: 91.3Сʱ
- ³æºÅ: 534601
- ×¢²á: 2008-03-28
- ÐÔ±ð: MM
- רҵ: Ô×ӺͷÖ×ÓÎïÀí
4Â¥2008-05-26 18:19:02













»Ø¸´´ËÂ¥
20