| ²é¿´: 1591 | »Ø¸´: 4 | ||
zhsg868Ìú³æ (СÓÐÃûÆø)
|
[ÇóÖú]
Çë½ÌÎÄÏ×ÖÐż¼«¾ØµÄ¼ÆËã·½·¨
|
| ÄÄλÐÖµÜÖªµÀ¸½¼þËùÁÐÎÄÏ×ÖеÚÎåÒ³µÚ¶þ¶ÎµÄż¼«¾Ø¹«Ê½¦Ì=neR£¬ÆäÖÐnºÍR·Ö±ðָʲô¡£¶ÔÓÚÎÄÖеÄMo-O¼ü£¬ÕâÁ½¸öÖµ·Ö±ðÈçºÎ¼ÆËãµÃµ½µÄ£¿Çë²»Áߴͽ̡£Ð»Ð»£¡ |
» ±¾Ìû¸½¼þ×ÊÔ´Áбí
-
»¶Ó¼à¶½ºÍ·´À¡£ºÐ¡Ä¾³æ½öÌṩ½»Á÷ƽ̨£¬²»¶Ô¸ÃÄÚÈݸºÔð¡£
±¾ÄÚÈÝÓÉÓû§×ÔÖ÷·¢²¼£¬Èç¹ûÆäÄÚÈÝÉæ¼°µ½ÖªÊ¶²úȨÎÊÌ⣬ÆäÔðÈÎÔÚÓÚÓû§±¾ÈË£¬Èç¶Ô°æÈ¨ÓÐÒìÒ飬ÇëÁªÏµÓÊÏ䣺xiaomuchong@tal.com - ¸½¼þ 1 : AlignmentofacentricMoO3F3anionsinapolarmaterial(Ag3MoO3F3)(Ag3MoO4)Cl.pdf
2012-10-16 19:46:17, 341.52 K
» ²ÂÄãϲ»¶
ËÄ´¨Çữ¹¤´óѧ»¯Ñ§Óë»·¾³¹¤³ÌѧԺ ¸¶êŽÌÊÚ¿ÎÌâ×éÕÐÊÕµ÷¼Á˶ʿÑо¿Éú
ÒѾÓÐ11È˻ظ´
´óÁ¬»¯ÎïËùÕÐÊÕÓлú±³¾°µÄ²©Ê¿ºòÑ¡ÈË
ÒѾÓÐ0È˻ظ´
ÎÞ»ú»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ253È˻ظ´
ÔÚMOFÖУ¬ÓÐûÓÐôÈ»ù²Î¼ÓÅäλµÄÇé¿ö
ÒѾÓÐ2È˻ظ´
ÕÐ2026ÄêÈëѧÉϺ£½»Í¨´óѧ²©Ê¿Éú£¬¼±£¡£¡£¡
ÒѾÓÐ1È˻ظ´
ÀíÂÛ¼ÆËãºÏ×÷
ÒѾÓÐ0È˻ظ´
Çó¸ßУºÏ×÷
ÒѾÓÐ1È˻ظ´
27¼¶ÎÞ»ú»¯Ñ§É격×Ô¼ö
ÒѾÓÐ2È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
DMOL ż¼«×Ó·ÖÎö
ÒѾÓÐ12È˻ظ´
Lammps¼ÆËãÈÜÒº½éµç³£Êý£¨dielectric constant£©
ÒѾÓÐ17È˻ظ´
ÕâÑùµÄ¸ß˹¼ÆËã¿É·ñ£¿
ÒѾÓÐ6È˻ظ´
¸ß˹¼ÆËã·Ö×Ó£¬Ôõô¿´Äĸö½á¹¹×îÎȶ¨
ÒѾÓÐ14È˻ظ´
Gaussian TDDFT ÓÅ»¯¼¤·¢Ì¬C2H2£¬logÎļþÖÐÓÐ6¸öԾǨż¼«¾Ø£¬Ôõô¿´£¿
ÒѾÓÐ5È˻ظ´
gaussian×ö¾§Ì弯ËãµÄÎÄÏ×¼°·½·¨
ÒѾÓÐ13È˻ظ´
gauss¼ÆËãµÄƵÂÊÊǼòÕýģʽÂð£¿ÄǺìÍâ¹âÆ×ÔõôµÃµ½µÄ£¿
ÒѾÓÐ11È˻ظ´
·Ö×Ó¶¯Á¦Ñ§Ä£Äâ Çó Ë®·Ö×ӵĺìÍâ¹âÆ×
ÒѾÓÐ11È˻ظ´
¹ØÓÚMSÇÐÃæ£¬¼ÆËã±íÃæÄܵÄÎÊÌâ
ÒѾÓÐ19È˻ظ´
ÈçºÎÓÃTDDFT¼ÆËãµÚÒ»¼¤·¢Ì¬µÄż¼«¾Ø
ÒѾÓÐ5È˻ظ´
ѹµç¼ÆËã-ÊÕ¼¯¼ÆËã·½·¨£¡
ÒѾÓÐ5È˻ظ´
½éµç³£Êý¼ÆËã·½·¨
ÒѾÓÐ13È˻ظ´
siesta¼ÆËãdipole moment£¨µçż¼«¾Ø£©
ÒѾÓÐ7È˻ظ´
ÒÑ֪żµª±½µÄż¼«¾Ø¼°½éµç³£Êý£¬ÔõÑù¼ÆË㼫ÐÔ
ÒѾÓÐ3È˻ظ´
¹ØÓÚż¼«¾ØµÄ¼ÆË㹫ʽ
ÒѾÓÐ3È˻ظ´
¡¾Çë½Ì¡¿ÎÄÏ×Öо³£³öÏÖµÄÁ½¸öÓ¢ÎÄ´Ê×é
ÒѾÓÐ5È˻ظ´
¡¾ÇóÖú¡¿¹ØÓÚdipole moment correction
ÒѾÓÐ11È˻ظ´
¡¾ÇóÖú¡¿Éó¸åÒâ¼ûÇóÖú
ÒѾÓÐ9È˻ظ´
¡¾ÇóÖú¡¿VASPËã²¼¾ÖÊý·ÖÎö
ÒѾÓÐ16È˻ظ´
¡¾ÇóÖú¡¿ÓÅ»¯¼ÆËãºóż¼«¾àÑ¡Ôñ
ÒѾÓÐ12È˻ظ´
hawkklins
ͳæ (ÕýʽдÊÖ)
- Ó¦Öú: 18 (СѧÉú)
- ½ð±Ò: 149.8
- ºì»¨: 12
- Ìû×Ó: 353
- ÔÚÏß: 169.4Сʱ
- ³æºÅ: 878096
- ×¢²á: 2009-10-20
- ÐÔ±ð: GG
- רҵ: ÎÞ»ú²ÄÁÏ»¯Ñ§
2Â¥2012-10-16 21:51:55
luxtal
ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)
- Ó¦Öú: 691 (²©Ê¿)
- ½ð±Ò: 13883.3
- ºì»¨: 50
- Ìû×Ó: 3005
- ÔÚÏß: 701.3Сʱ
- ³æºÅ: 2014485
- ×¢²á: 2012-09-19
- רҵ: ½á¹¹»¯Ñ§
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
| ÀïÃæÓÐÏêϸµÄ½âÊͰ¡£¬n the total number of electrons, R the difference, in cm, between the ¡®¡®centroids¡¯¡¯ of positive and negative charge¡£ÎÒ¿´ÎÄÏ×дµÄºÜÏêϸ£¬Äã×Ðϸ¶Á¶Á¡£ |

3Â¥2012-10-16 22:06:30
fjzfox
Ìú³æ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 269.3
- Ìû×Ó: 30
- ÔÚÏß: 16Сʱ
- ³æºÅ: 1410444
- ×¢²á: 2011-09-21
- ÐÔ±ð: MM
- רҵ: È˹¤¾§Ìå

4Â¥2012-10-17 13:04:41
luxtal
ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)
- Ó¦Öú: 691 (²©Ê¿)
- ½ð±Ò: 13883.3
- ºì»¨: 50
- Ìû×Ó: 3005
- ÔÚÏß: 701.3Сʱ
- ³æºÅ: 2014485
- ×¢²á: 2012-09-19
- רҵ: ½á¹¹»¯Ñ§

5Â¥2012-10-17 21:46:42











»Ø¸´´ËÂ¥
10