Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 11067  |  »Ø¸´: 10
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

suyi20466975

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

½íàþ½«¾ü

[ÇóÖú] Mulliken ²¼¾Ö·ÖÎöÈκηÖÎöµçºÉ·Ö²¼¡¢×ªÒƺͻ¯Ñ§ÐÔÖÊ

ÔÚMS-CASTEP×öMulliken ²¼¾Ö·ÖÎöʱ£¬µçºÉ²¼¾ÓÊý£¨atomic charge£©ÓëµçºÉ·Ö²¼¡¢×ªÒƺͻ¯Ñ§ÐÔÖÊÓÐʲô¹ØÏµ£¿
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

²¼¾Ó·ÖÎö

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

Everythingwillbechanged!
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

silikiwi

½ð³æ (СÓÐÃûÆø)

ÀûÓüü²¼¾Ö·ÖÎö¶¨ÐԵķÖÎö³É¼üµÄ¼«ÐÔ£»ÄÇÀûÓÃÔ­×Ó²¼¾Ö·ÖÎö£¬¸ù¾ÝÔ­×ÓµçºÉµÄµÃʧÊÇ·ñ¿ÉÒÔ¶¨ÐÔµÄÅжÏij¸öÔ­×ÓÓëÆäÖÜΧԭ×ÓÖ®¼äµÄCoulomb×÷Óã¿
5Â¥2012-04-23 13:44:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

suyi20466975

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

½íàþ½«¾ü

×Ô¼ºÓеãÃ÷°×£¬Ô­×ӵĵçºÉÁ¿ÎªÕý¶øÇÒÖµºÜ´ó£¬´ú±íÆäµçºÉ×ªÒÆÁ¿´ó£¬ÆäÀë×ÓÐÔÇ¿£¬·´Ö®£¬Îª¸ºÇÒֵԽС£¬´ú±íÆäµÃµç×ÓÄÜÁ¦Ç¿£¬¾ÍÊÇÆä¹²¼ÛÐÔÇ¿¡£
Everythingwillbechanged!
2Â¥2012-04-21 11:34:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

shmilylxc

ľ³æ (ÕýʽдÊÖ)

Äܲ»ÄÜÔÙ˵Ã÷°×µãÄØ
3Â¥2012-04-21 17:10:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

°²µÂ

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

** *_** ___ ***_ * _*

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
liliangfang: ½ð±Ò+1, лл½»Á÷ 2012-04-21 18:34:41
suyi20466975: ½ð±Ò+1, ¡ïÓаïÖú 2012-04-21 20:13:56
²¼¾Ö·ÖÎöµÃµ½µÄ½á¹û£¬¿ÉÒÔÇóµÃºËÖÜΧµÄµç×ÓÔÆÃܶȡ£Èç¹ûÔ­×ÓºËÖÜΧµç×ÓÃܶȴóµÄ»°£¬¾ÍÈÝÒ×·¢ÉúÇ׵練Ӧ£¬Èç¹ûµç×ÓÃܶÈСµÄ»°£¬ÔòÈÝÒ×·¢ÉúÇ׺˷´Ó¦£¬²»ÖªµÀ˵µÄ¶Ô²»¶Ô......
That'sit! Justdoit!
4Â¥2012-04-21 17:32:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] RY£ºÖйú²ú³öµÄ¿ÆÑ§À¬»øÂÛÎÄ£¬¾ø¶ÔÊýÁ¿ºÍ±ÈÀý¶¼ÊÀ½çµÚÒ» +4 zju2000 2026-04-14 6/300 2026-04-14 11:00 by bjdxyxy
[¿¼ÑÐ] 085408¹âµçÐÅÏ¢¹¤³Ìר˶355Ò»Ö¾Ô¸³¤´º¹â»úËùµ÷¼Á +6 Íõymaa 2026-04-13 6/300 2026-04-14 10:14 by 1005715100
[¿¼ÑÐ] ÉúÎïѧ308Çóµ÷¼Á +6 ÏàÐűػá¹ââÍòÕ 2026-04-11 6/300 2026-04-14 08:57 by licg0208
[¿¼ÑÐ] ²ÄÁϹ¤³Ì281»¹Óе÷¼Á»ú»áÂð +37 xaw. 2026-04-11 38/1900 2026-04-14 08:29 by ¿ÆÓîÀÏʦ
[¿¼ÑÐ] 0856ר˶Çóµ÷¼Á Ï£ÍûÊÇaÇøÔºÐ£ +24 ºÃºÃÐÝÏ¢ºÃ²»ºÃ 2026-04-09 27/1350 2026-04-13 22:22 by pies112
[¿¼ÑÐ] 290Çóµ÷¼Á +18 ¿Â»´È» 2026-04-12 20/1000 2026-04-13 12:56 by cyh¡ª315
[¿¼ÑÐ] 0831Ò»ÂÖµ÷¼Áʧ°ÜÇóÖú +10 СÐÜî£î£_s 2026-04-11 10/500 2026-04-12 22:43 by ³¤¹­°Á
[¿¼ÑÐ] 295·ÖÇóµ÷¼Á +13 ?ÒªÉϰ¶? 2026-04-10 13/650 2026-04-12 15:37 by laoshidan
[¿¼ÑÐ] Çóµ÷¼Á +16 ÕÅ·¬ÇѲ»³´µ° 2026-04-10 17/850 2026-04-12 13:58 by °¾Ò¹³É£¡
[¿¼ÑÐ] 22408µ÷¼Á315·Ö +3 zhuangyan123 2026-04-09 3/150 2026-04-12 00:25 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸´óÁ¬Àí¹¤´óѧ354·Ö +5 ÓêÉùÓàÉú 2026-04-11 6/300 2026-04-11 16:12 by ÓêÉùÓàÉú
[¿¼ÑÐ] Çóµ÷¼Á +3 θ¾·ÂÎÀÛÁË 2026-04-11 5/250 2026-04-11 14:13 by luhong1990
[¿¼ÑÐ] 0854µ÷¼Á +8 950824he@ 2026-04-09 8/400 2026-04-11 10:11 by zhq0425
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõ324µ÷¼Á +23 Ëï³£»ª 2026-04-09 25/1250 2026-04-11 00:07 by ÆïÅ£¶Éº®½­
[¿¼ÑÐ] Ò»Ö¾Ô¸¾©Çø985£¬085401µç×ÓÐÅÏ¢£¬±¾¿Æµç×ÓÐÅÏ¢ +3 Ñô¹â¿ªÀʵÄÄк¢ 2026-04-10 3/150 2026-04-10 16:29 by sophia_93
[¿¼ÑÐ] Òѵ÷¼Á +18 ²ñ¿¤Ã¨_ 2026-04-09 19/950 2026-04-09 22:10 by ²ñ¿¤Ã¨_
[¿¼ÑÐ] ²ÄÁÏר˶µ÷¼Á +16 ¹þ¹þ¹þºðºðºð¹þ 2026-04-07 17/850 2026-04-09 21:16 by wutongshun
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÄÏʦ·¶´óѧ0702ÎïÀíѧ305µ÷¼Á +4 Äî³£°² 2026-04-07 6/300 2026-04-08 22:53 by bljnqdcc
[¿¼ÑÐ] 296Çóµ÷¼Á +3 Íô£¡£¿£¡ 2026-04-08 3/150 2026-04-08 22:00 by zhouyuwinner
[¿¼ÑÐ] 11408 325·Ö +3 jgtxuxgkx 2026-04-07 3/150 2026-04-07 23:10 by lbsjt
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û