| ²é¿´: 2281 | »Ø¸´: 3 | ||
½¨¾üÒø³æ (ÕýʽдÊÖ)
|
[ÇóÖú]
MS¹ØÓÚpopulation analysisµÄ¼ÆËã
|
| ÎÒÔÚMSÀïÉèÖÃÁËpopulation analysisµÄ¼ÆËãÈÎÎñ£¬µ«µ¥´¿µÄµ¥°û¿ÉÒÔ¼ÆË㣬¶ø²ôÔӵľ§°û¼ÆËã²»ÄÜ¿ªÊ¼£¬ÏÔʾ Cann't run CASTEP for the given scope( disordered crystal). the fowling features are not supportted: population analysis |
» ²ÂÄãϲ»¶
²ÄÁÏÓ뻯¹¤Ò»Ö¾Ô¸Äϲý´óѧ327Çóµ÷¼ÁÍÆ¼ö
ÒѾÓÐ8È˻ظ´
0703 ÎïÀí»¯Ñ§µ÷¼Á
ÒѾÓÐ5È˻ظ´
»¯Ñ§¹¤³Ì321·ÖÇóµ÷¼Á
ÒѾÓÐ7È˻ظ´
0703»¯Ñ§µ÷¼Á 290·ÖÓпÆÑоÀú£¬ÂÛÎÄÔÚͶ
ÒѾÓÐ7È˻ظ´
308Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
±¾ÈË¿¼085602 »¯Ñ§¹¤³Ì ר˶
ÒѾÓÐ10È˻ظ´
½¹ÂÇ
ÒѾÓÐ9È˻ظ´
0856Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
283Çóµ÷¼Á
ÒѾÓÐ11È˻ظ´
ÉîÛÚ´óѧ˶ʿÕÐÉú£¨2026Ç´«¸ÐÆ÷·½Ïò£¬½ö¼ȡµÚÒ»Ö¾Ô¸£©
ÒѾÓÐ8È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
²¼¾Ö·Ö²¼ Muliken population analysis ¿´ÂÛÎÄ¿´µ½µÄ Çó´óÏÀ½âÊÍ
ÒѾÓÐ7È˻ظ´
transiesta ¼ÆËã´íÎó
ÒѾÓÐ15È˻ظ´
¹ØÓڶԴžصļÆËã
ÒѾÓÐ4È˻ظ´
MSÄÜËãÓÐЧÖÊÁ¿Ã´£¿ÔõôË㣿Çó½â´ð¡£
ÒѾÓÐ29È˻ظ´
¡¾ÇóÖú¡¿ÇóÖúThe calculated atomic and bond Mulliken population analysis
ÒѾÓÐ13È˻ظ´
¡¾ÇóÖú¡¿ÇëÎÊÓÐË×ö¹ýpopulation analysis£¬NiAs½á¹¹ÖÐÓжàÉÙ¸ö¼ü
ÒѾÓÐ3È˻ظ´
¡¾ÇóÖú¡¿ÓÃCASTEPÓÅ»¯µç×ӽṹʱºò£¬ÒªÉèÖÃpopulation analysis £¬ÉèÖÃËüµÄ×÷ÓÃÊÇʲô
ÒѾÓÐ4È˻ظ´
¡¾Ô´´¡¿DFT¼ÆËãÌå»á
ÒѾÓÐ20È˻ظ´
¡¾ÇóÖú¡¿dmol ÖÐpopulation analysis
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿ÈçºÎËã´Å¾Ø£¿
ÒѾÓÐ6È˻ظ´
¡¾ÇóÖú¡¿siestaÖйØÓÚ¼¸ºÎ½á¹¹ÓÅ»¯µÄÎÊÌ⡾Íê½á¡¿
ÒѾÓÐ17È˻ظ´

ning007
ͳæ (СÓÐÃûÆø)
- Ó¦Öú: 2 (Ó×¶ùÔ°)
- ½ð±Ò: 101.5
- É¢½ð: 5
- ºì»¨: 1
- Ìû×Ó: 73
- ÔÚÏß: 124.7Сʱ
- ³æºÅ: 1695415
- ×¢²á: 2012-03-16
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
2Â¥2012-12-29 14:13:20
½¨¾ü
Òø³æ (ÕýʽдÊÖ)
- Ó¦Öú: 7 (Ó×¶ùÔ°)
- ½ð±Ò: 218.9
- É¢½ð: 145
- ºì»¨: 3
- Ìû×Ó: 360
- ÔÚÏß: 126.8Сʱ
- ³æºÅ: 1637352
- ×¢²á: 2012-02-23
- ÐÔ±ð: GG
- רҵ: ÆäËûÎÞ»ú·Ç½ðÊô²ÄÁÏ

3Â¥2013-01-03 09:18:15
½¨¾ü
Òø³æ (ÕýʽдÊÖ)
- Ó¦Öú: 7 (Ó×¶ùÔ°)
- ½ð±Ò: 218.9
- É¢½ð: 145
- ºì»¨: 3
- Ìû×Ó: 360
- ÔÚÏß: 126.8Сʱ
- ³æºÅ: 1637352
- ×¢²á: 2012-02-23
- ÐÔ±ð: GG
- רҵ: ÆäËûÎÞ»ú·Ç½ðÊô²ÄÁÏ

4Â¥2013-04-14 17:25:15













»Ø¸´´ËÂ¥
20