²é¿´: 2364  |  »Ø¸´: 5
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

hzfish

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿CASTEP¼ÆËã½á¹ûÎļþÈçºÎ¼õ·Ê£¿£¿£¿£¿ ÒÑÓÐ5È˲ÎÓë

CASTET¼ÆËã½á¹ûÎļþʵÔÚÊÇÌ«´óÁË£¬ÊDz»ÊÇËùÓеÄÎļþÔÚ½á¹ûÊý¾Ý´¦Àíʱ¶¼ÓÐÓÃÄØ£¿£¿£¿Äܲ»ÄÜ´¦ÀíµôÒ»Ð©ÄØ£¬½ÚʡһЩ´ÅÅ̿ռ䣿£¿

±ÈÈçÎÒÏȶÔZNO½øÐÐÁËÓÅ»¯£¬ÔÚÓÅ»¯µÄ»ù´¡ÉÏÖ´ÐÐÄÜÁ¿¼ÆËãÈÎÎñͬʱ¼ÆËãÁËband structure,density states, electron density difference,optical properties,orbitals,population analysisÐÔÖÊ

ÔÚ²»Ó°ÏìºóÆÚÊý¾Ý´¦ÀíµÄÇé¿öÏ£¬±£´æÊý¾Ýʱ£¬Ö»ÒªÇó±£´æÄÄЩÊý¾Ý¾ÍÐÐÁË£¬¶ø²»ÓÃÍêÈ«¶¼±£´æ£¿£¿£¿£¿


лл£¡£¡£¡
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

µÚÒ»Ô­Àí×ÊÁÏ»ã±à

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

wuli8

ÈÙÓþ°æÖ÷ (ÖªÃû×÷¼Ò)

¡­¡­¡­¡­

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï ¡ï
zzy870720z(½ð±Ò+2):ллָ½Ì£¬Ö¸µ¼Ó¦¸Ã¸ø³öÁ´½Ó£¬ºÙºÙ£¬·½±ãѧϰ 2010-05-23 11:25:03
hzfish(½ð±Ò+1):лл£¡£¡ÓÐʲôÎÊÌ⣿£¿ÄÜ·ñ¼Æ½²Ï£¿£¿£¿ 2010-05-23 20:33:55
.checkÎļþ¿ÉÒÔ²»ÈÃϵͳ²úÉú¡£
.checkÎļþµÄ×÷ÓÃÒÔǰÌÖÂÛ¹ý¡£µ«ÊÇĿǰ»¹ÊÇÓÐÎÊÌâ
¡­¡­¡­¡­
3Â¥2010-05-23 11:02:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 6 ¸ö»Ø´ð

shrek826

½ð³æ (СÓÐÃûÆø)

¡ï
hzfish(½ð±Ò+1):лл£¡£¡ 2010-05-22 22:50:07
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-05-23 11:24:21
×îÕ¼¿Õ¼äµÄÊÇ.checkÎļþ£¬Èç¹ûÄãÈ·ÈÏÕâ¸öprojectÒѾ­ËãÍ꣬¿ÉÒÔ°ÑËüɾµô
2Â¥2010-05-22 14:01:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

franch

°æÖ÷ (ÖøÃûдÊÖ)

hzfish(½ð±Ò+1):ÎÒµÄûÓÐÕâô±ÈÀý£¬Ö»ÓÐ50%×óÓÒ¡£ 2010-05-24 22:57:02
99¡£9%  checkÎļþ£¬£¬£¬
ÓöÈõÔòÈõ
4Â¥2010-05-23 22:38:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

acridine

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
zzy870720z(½ð±Ò+2):ллָµã 2010-05-23 23:27:57
hzfish(½ð±Ò+1):лл£¡£¡ 2010-05-24 22:57:58
ÎÒÖªµÀdmolÖÐ×î´óµÄÎļþÊÇ´æ´¢²¨º¯ÊýÐÅÏ¢µÄ£¬ÓÃÓÚ¼ÌÐø¼ÆË㣬Èç¹û²»ÔÙ½øÐÐÆäËü¼ÆËã¿ÉÒÔɾ³ý¡£ÆäËüµÄÎļþÈç¸÷ÖÖ¹ìµÀ¡¢µç×ÓÃܶÈÊǶÀÁ¢µÄСÎļþ¡£
µ«Ó¡ÏóÖÐcastepµÄcheckÎļþ³ýÁËÓÃÓÚ¼ÌÐø¼ÆË㣬ºÃÏñ»¹ÓÐÆäËûÐÅÏ¢ÔÚÀïÃæ£¬±ÈÈçorbitalµÄÐÎò£¨¼ÆËãʱ£¬ÊôÐÔÖÐÊÇûÓÐorbitalÑ¡ÏîµÄ£¬µ«¼ÆËãÖ®ºó¾Í·ÖÎöËü£©£¬É¾³ýÁ˾ÍÎÞ·¨·ÖÎöÁË
²»È·¶¨£¬µ«×îºÃÏÈÊÔÑéÒ»ÏÂÎļþ¶Ô·ÖÎöÓÐûÓÐÓ°Ïì¡£
5Â¥2010-05-23 23:12:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 281Çóµ÷¼Á£¨0805£© +6 ÑÌÏ«Ò亣 2026-03-16 16/800 2026-03-19 00:59 by ÑÌÏ«Ò亣
[¿¼ÑÐ] 085700×ÊÔ´Óë»·¾³308Çóµ÷¼Á +3 īīĮ 2026-03-18 3/150 2026-03-18 22:35 by bingxueer79
[¿¼ÑÐ] 328Çóµ÷¼Á£¬Ó¢ÓïÁù¼¶551£¬ÓпÆÑо­Àú +3 ÉúÎ﹤³Ìµ÷¼Á 2026-03-16 10/500 2026-03-18 20:41 by Wangjingyue
[¿¼ÑÐ] ²ÄÁÏרҵÇóµ÷¼Á +5 hanamiko 2026-03-18 5/250 2026-03-18 20:19 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] Ò»Ö¾Ô¸Öйúº£Ñó´óѧ£¬ÉúÎïѧ£¬301·Ö£¬Çóµ÷¼Á +4 1ËïÎò¿Õ 2026-03-17 4/200 2026-03-18 17:59 by fivewind
[¿¼ÑÐ] 311Çóµ÷¼Á +6 26ÑÐ0 2026-03-15 6/300 2026-03-18 14:43 by haxia
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +10 z1z2z3879 2026-03-16 13/650 2026-03-18 14:20 by 007_lilei
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +4 ioodiiij 2026-03-17 4/200 2026-03-18 12:36 by Linda Hu
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 éÙËÌ. 2026-03-17 4/200 2026-03-17 21:43 by ÓÐÖ»ÀêÅ«
[¿¼ÑÐ] ¶«ÄÏ´óѧ364Çóµ÷¼Á +5 JasonYuiui 2026-03-15 5/250 2026-03-16 21:28 by ľ¹Ï¸à
[»ù½ðÉêÇë] ½ñÄêµÄ¹ú»ù½ðÊÇ´ò·ÖÖÆÂ𣿠50+3 zhanghaozhu 2026-03-14 3/150 2026-03-16 17:07 by ±±¾©À³ÒðÈóÉ«
[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] 297Çóµ÷¼Á +4 ѧº£Æ¯²´ 2026-03-13 4/200 2026-03-14 11:51 by ÈÈÇéɳĮ
[¿¼ÑÐ] ²ÄÁÏ080500µ÷¼ÁÇóÊÕÁô +3 Ò»¿Åmeteor 2026-03-13 3/150 2026-03-14 10:54 by peike
[¿¼ÑÐ] ÕÐÊÕ0805£¨²ÄÁÏ£©µ÷¼Á +3 18595523086 2026-03-13 3/150 2026-03-14 00:33 by 123%¡¢
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304ÇóBÇøµ÷¼Á +6 Çñgl 2026-03-12 7/350 2026-03-13 23:24 by Çñgl
[¿¼ÑÐ] Çóµ÷¼Á +5 Ò»¶¨ÓÐѧÉÏ- 2026-03-12 5/250 2026-03-13 18:31 by ms629
[¿¼ÑÐ] ¹¤¿Æ²ÄÁÏ085601 279Çóµ÷¼Á +8 À§ÓÚÐdz¿ 2026-03-12 10/500 2026-03-13 15:42 by ms629
[¿¼ÑÐ] Çóµ÷¼Á +3 ³ÌÓ꺼 2026-03-12 3/150 2026-03-13 15:06 by JourneyLucky
[¿¼²©] 26¶Á²© +4 Rui135246 2026-03-12 10/500 2026-03-13 07:15 by gaobiao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û