²é¿´: 2366  |  »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

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
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

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

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] 304Çóµ÷¼Á +6 ˾¿Õ. 2026-03-18 6/300 2026-03-18 23:03 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] Ò»Ö¾Ô¸Öк£Ñó²ÄÁϹ¤³Ìר˶330·ÖÇóµ÷¼Á +5 С²Ä»¯±¾¿Æ 2026-03-18 5/250 2026-03-18 21:53 by ÎÞи¿É»÷111
[¿¼ÑÐ] Ò»Ö¾Ô¸985£¬±¾¿Æ211£¬0817»¯Ñ§¹¤³ÌÓë¼¼Êõ319Çóµ÷¼Á +7 Liwangman 2026-03-15 7/350 2026-03-18 20:08 by walc
[¿¼ÑÐ] 266Çóµ÷¼Á +5 ÑôÑôÍÛÈû 2026-03-14 9/450 2026-03-18 15:05 by stone_128
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤Ò»Ö¾Ô¸Äϲý´óѧ327Çóµ÷¼ÁÍÆ¼ö +8 Ncdx123456 2026-03-13 9/450 2026-03-18 14:40 by haxia
[¿¼ÑÐ] 304Çóµ÷¼Á +12 СÐÜjoy 2026-03-14 13/650 2026-03-18 12:34 by Linda Hu
[¿¼ÑÐ] 303Çóµ÷¼Á +4 î£08 2026-03-17 6/300 2026-03-18 11:01 by Iveryant
[¿¼ÑÐ] 307Çóµ÷¼Á +3 ÀäóÏ123 2026-03-17 3/150 2026-03-18 09:55 by macy2011
[¿¼ÑÐ] 0703»¯Ñ§336·ÖÇóµ÷¼Á +6 zbzihdhd 2026-03-15 7/350 2026-03-18 09:53 by zhukairuo
[¿¼ÑÐ] 277µ÷¼Á +5 ×ÔÓɼå±ý¹û×Ó 2026-03-16 6/300 2026-03-17 19:26 by Àîleezz
[¿¼ÑÐ] ²ÄÁÏר˶326Çóµ÷¼Á +6 Ä«ìÏæ¦Ý· 2026-03-15 7/350 2026-03-17 17:10 by ruiyingmiao
[¿¼ÑÐ] ÓÐûÓеÀÌú/ÍÁľµÄÏëµ÷¼ÁÄÏÁÖ£¬¸ø×Ô¼ºÕÐʦµÜÖС« +3 TqlXswl 2026-03-16 7/350 2026-03-17 15:23 by TqlXswl
[¿¼ÑÐ] [µ¼Ê¦ÍƼö]Î÷ÄϿƼ¼´óѧ¹ú·À/²ÄÁϵ¼Ê¦ÍƼö +3 ¼â½ÇСºÉ 2026-03-16 6/300 2026-03-16 23:21 by ¼â½ÇСºÉ
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶Çóµ÷¼Á +6 Ì«Ïë½ø²½ÁË0608 2026-03-16 6/300 2026-03-16 16:13 by kykm678
[¿¼ÑÐ] »úеר˶µ÷¼Á +3 ±¿±¿ÍÃ×Ó 2026-03-12 3/150 2026-03-15 20:02 by Àõ×ÓÖà?
[¿¼ÑÐ] 289Çóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-14 6/300 2026-03-14 18:58 by userper
[¿¼ÑÐ] Öпƴó²ÄÁÏר˶319Çóµ÷¼Á +3 ÃÏöβÄÁÏ 2026-03-13 3/150 2026-03-14 18:10 by houyaoxu
[¿¼ÑÐ] һ־Ըɽ´ó07»¯Ñ§ 332·Ö ËÄÁù¼¶Òѹý ±¾¿ÆÉ½¶«Ë«·Ç Çóµ÷¼Á£¡ +3 ²»ÏëÀíÄã 2026-03-12 3/150 2026-03-13 14:18 by JourneyLucky
[¿¼ÑÐ] 070303Ò»Ö¾Ô¸Î÷±±´óѧѧ˶310ÕÒµ÷¼Á +3 dÈçÔ¸Éϰ¶ 2026-03-13 3/150 2026-03-13 10:43 by houyaoxu
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û