²é¿´: 2522  |  »Ø¸´: 5
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ΰÃ÷

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

̽Ë÷Õß

[ÇóÖú] ¿ª¿Ç²ãµÄHOMO-LUMO gap µ½µ×ÊÇÄÄÁ½¸öÏà¼õ°¡£¿Çó¸ßÊÖÖ¸µã

¿ª¿Ç²ãµÄHOMO-LUMO gap µ½µ×ÊÇÄÄÁ½¸öÏà¼õ°¡£¿Çó¸ßÊÖÖ¸µã¡£Ò»ÏÂÃæµÄΪÀý
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

HOMOÓëLUMO

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

ΰÃ÷

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

̽Ë÷Õß

ÒýÓûØÌû:
Originally posted by tiechong at 2011-06-26 07:33:43:
¿ªÇÏÔøµÄHOMO-LUMO²»ÊǺÜÃ÷È·£¬ Ò²²»ºÃÓ²°´ÕÕ±ÕÇÏÔøµÄHOMO-LUMOÀ´Àí½â

¶àл
4Â¥2011-07-21 12:48:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 6 ¸ö»Ø´ð

wolfzhong

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
gmy1990(½ð±Ò+3): ·Ç³£¸ÐлÄã¶ÔÂÛ̳µÄ¹±Ï×£¬½±ÀøÒ»Ï£¡ 2011-06-24 16:04:17
ΰÃ÷(½ð±Ò+5): лл ÎÒÖ»ÄÜËãÒ»¸ögapÖµ°¡ 2011-07-21 12:46:22
ΰÃ÷(½ð±Ò+5): лл 2011-07-21 12:47:49
alfaµÄgap Ó¦¸ÃÊÇ16-15µÄÄÜÁ¿ £¬¶ÔÓ¦Gap1=0.06103£»
beitaµÄgapÏàÓ¦ÊÇ15-14µÄÄÜÁ¿£¬¼´¡¾-0.10790¡¿-¡¾-0.19019¡¿=0.08229¡£
2Â¥2011-06-24 15:16:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiechong

½ð³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¿ªÇÏÔøµÄHOMO-LUMO²»ÊǺÜÃ÷È·£¬ Ò²²»ºÃÓ²°´ÕÕ±ÕÇÏÔøµÄHOMO-LUMOÀ´Àí½â
3Â¥2011-06-26 07:33:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhficcas

Òø³æ (ÕýʽдÊÖ)

Õâ¸öÎÊÌâºÜ²»Çå³þ,ºÜ¶àµÄÎÄÏ×ÉÏÒ²¶¼Ã»ÓÐÃ÷È·µÄ˵, ºÜÆÚ´ý¸ßÊÖ½âÊÍ.
5Â¥2011-07-21 15:37:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ×Ü·Ö293Çóµ÷¼Á +4 ¼ÓÒ»Ò»¾Å 2026-03-25 4/200 2026-03-25 12:56 by Dyhoer
[¿¼ÑÐ] 0854µç×ÓÐÅÏ¢Çóµ÷¼Á 324 +4 Promise-jyl 2026-03-23 4/200 2026-03-25 11:36 by Sugarlight
[¿¼ÑÐ] ÉúÎï¼¼ÊõÓ빤³Ì +3 1294608413 2026-03-25 3/150 2026-03-25 10:45 by hxsm
[¿¼ÑÐ] 292Çóµ÷¼Á +4 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 4/200 2026-03-25 10:37 by barlinike
[¿¼ÑÐ] 286Çóµ÷¼Á +11 Faune 2026-03-21 11/550 2026-03-25 10:11 by ÎíÉ¢ºóÏàÓölc
[¿¼ÑÐ] »¯Ñ§µ÷¼Á +6 yzysaa 2026-03-21 6/300 2026-03-25 09:27 by aa331100
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶0703×Ü·Ö337Çóµ÷¼Á +6 niko- 2026-03-22 6/300 2026-03-25 09:14 by aa331100
[¿¼ÑÐ] 340Çóµ÷¼Á +5 »°Ã·ÌÇ111 2026-03-24 5/250 2026-03-25 06:53 by ilovexiaobin
[¿¼ÑÐ] »¯¹¤×¨Ë¶Çóµ÷¼Á +3 questionÍì·ç 2026-03-24 3/150 2026-03-24 18:48 by jhhcooi
[¿¼ÑÐ] 0854 ¿¼Ñе÷¼Á ÕÐÉúÁË£¡AI ·½Ïò +5 pk3725069 2026-03-19 17/850 2026-03-24 17:30 by zhouxuan..
[¿¼ÑÐ] 333Çóµ÷¼Á +3 ALULU4408 2026-03-23 3/150 2026-03-23 19:04 by macy2011
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©Àí¹¤´óѧ085701×ÊÔ´Óë»·¾³302·ÖÇóµ÷¼Á +5 ¿ûè÷ÎÀ¶Ó 2026-03-18 7/350 2026-03-23 16:26 by lingjue
[¿¼ÑÐ] ÇóÀÏʦÊÕÎÒ +3 zzh16938784 2026-03-23 3/150 2026-03-23 12:56 by ztnimte
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
[¿¼ÑÐ] 269ר˶Çóµ÷¼Á +6 ½ð¶÷±´ 2026-03-21 6/300 2026-03-22 14:31 by ColorlessPI
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-20 3/150 2026-03-21 16:46 by barlinike
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤£¨0856£©304Çó BÇø µ÷¼Á +3 Çñgl 2026-03-21 3/150 2026-03-21 13:47 by lature00
[¿¼ÑÐ] Çóµ÷¼ÁÒ»Ö¾Ô¸ÄϾ©º½¿Õº½Ìì´óѧ289·Ö +3 @taotao 2026-03-19 3/150 2026-03-20 21:34 by JourneyLucky
[¿¼ÑÐ] 086500 325 Çóµ÷¼Á +3 Áì´øÐ¡ÐÜ 2026-03-19 3/150 2026-03-20 18:38 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼Á +3 xwt¡£ 2026-03-19 3/150 2026-03-19 11:22 by wãåÑôw
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û