²é¿´: 1404  |  »Ø¸´: 8
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

appletree

Í­³æ (СÓÐÃûÆø)

[ÇóÖú] the energy gap of LUMO and LOMO

HOMOenergy = −10.160 eV
LUMOenergy=−0.0968 eV
HOMO¨CLUMOenergygap=9.9003 eV
±¾ÈËÊǸÕѧ¸ß˹µÄ²ËÄñ£¬Çó´óÉñÃǰïÏÂæ½âÊÍÏÂΪʲôHOMO¨CLUMOenergygapҪд³ÉÕýÖµ£¬²»Ó¦¸ÃÊǸºµÄÂð£¬ÎªÊ²Ã´²»Ö±½Óд³ÉLUMO-HOMOenergygapÄØ ¼±Çóѽ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

dreamyeye

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
7Â¥: Originally posted by appletree at 2013-10-26 14:58:57
ÔÚÇë½ÌÒ»¸öÎÊÌ⣬ÎÒÊÇ×öµç»¯Ñ§µÄ£¬Gap½ÏС˵Ã÷£¬µç×ÓÊÇÔÚ·Ö×ÓÄÚ²¿´«µÝ£¬Õâ¸öµç×Ó¿ÉÒÔÊǵ缫Éϵĵç×ÓÂ𣿴ò¸ö±È·½£¬¾ÍÊDZ½¼×Ëáͨ¹ýCOOÎü¸½Ôڵ缫±íÃæ£¬¿ÉÒÔ˵µç×Óͨ¹ýCOOÔÚ·Ö×ÓÄÚ²¿´«µÝµ½±½¼×ËáÉÏÂð£¿Ð»Ð»À²...

²»Ì«Çå³þ£¬ÒþÔ¼¸Ð¾õ²»ÐС£GapС£¬·Ö×ÓÄÚ´ÓHOMO-¡·LUMOµÄµç×ÓԾǨ½ÏÒ×£¬¶øÄã˵µÄÕâ¸öËÆºõ²»ÊÇÕâÑùµÄԾǨ£¬¹ÊÈÏΪ²»ÐС£µ«Êǵ½µ×Õâ¶þÕß¼äÓÐÎÞ¹ØÏµ£¬»¹½¨ÒéÎÊÎʸßÈË¡£
8Â¥2013-10-27 12:46:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

gmy1990

ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)

ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡ï
gkf¸ß: ½ð±Ò+1 2013-10-24 09:51:58
ÕâÓ¦¸ÃÓëÎÊÄãµÄÄêÁäºÍÄã°ÖµÄÄêÁäÏà²î¶àÉÙʱ Äã²»»á»Ø´ð¸º¶þÊ®ËêÒ»¸öÑù
2Â¥2013-10-23 23:08:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dreamyeye

ľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
appletree: ½ð±Ò+20, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸ 2013-10-24 14:02:54
GapÓ¦¸ÃÖ¸µÄÊDzîµÄ¾ø¶ÔÖµ°É¡£
3Â¥2013-10-24 12:33:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

dreamyeye

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by gmy1990 at 2013-10-23 23:08:54
ÕâÓ¦¸ÃÓëÎÊÄãµÄÄêÁäºÍÄã°ÖµÄÄêÁäÏà²î¶àÉÙʱ Äã²»»á»Ø´ð¸º¶þÊ®ËêÒ»¸öÑù

˵µÄÐÎÏó£¡
4Â¥2013-10-24 12:33:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯Ñ§¹¤³Ì085602 305·ÖÇóµ÷¼Á +17 RichLi_ 2026-03-25 17/850 2026-03-26 19:44 by plmuchong
[¿¼ÑÐ] ÉúÎïѧѧ˶£¬Ò»Ö¾Ô¸ºþÄÏ´óѧ£¬³õÊԳɼ¨338 +4 YYYYYNNNNN 2026-03-26 4/200 2026-03-26 19:00 by macy2011
[¿¼ÑÐ] 274Çóµ÷¼Á +14 ¹Ë¾ÅóÏҪǫÐé 2026-03-24 20/1000 2026-03-26 18:15 by ÀֺǺǵÄ×·ÃÎÈË
[¿¼ÑÐ] 334·Ö Ò»Ö¾Ô¸ÎäÀí ²ÄÁÏÇóµ÷¼Á +4 ÀîÀî²»·þÊä 2026-03-26 4/200 2026-03-26 16:00 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 0856µ÷¼Á +4 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 5/250 2026-03-26 15:54 by dick_runner
[²ÄÁϹ¤³Ì] Ò»Ö¾Ô¸C9²ÄÁÏÓ뻯¹¤×¨Òµ×Ü·Ö300Çóµ÷¼Á +5 Âü111 2026-03-24 6/300 2026-03-26 13:04 by 13756423260
[¿¼ÑÐ] 303Çóµ÷¼Á +6 À¶É½Ô 2026-03-25 6/300 2026-03-25 22:47 by 418490947
[¿¼ÑÐ] Çóµ÷¼Á +3 QiMing7 2026-03-25 3/150 2026-03-25 21:13 by ¸øÄãÄã×¢ÒâÐÝÏ¢
[¿¼ÑÐ] 299Çóµ÷¼Á +7 ijijijijλ 2026-03-21 8/400 2026-03-25 20:34 by ÈÈÇéɳĮ
[¿¼ÑÐ] 285Çóµ÷¼Á +3 AZMK 2026-03-24 3/150 2026-03-25 12:23 by userper
[¿¼ÑÐ] Ò»Ö¾Ô¸±±»¯315 Çóµ÷¼Á +3 akrrain 2026-03-24 3/150 2026-03-24 19:35 by ÁËÁËÁËÁË¡£¡£
[¿¼ÑÐ] Çóµ÷¼Á +5 ÁÖ֮Ϧ 2026-03-24 5/250 2026-03-24 17:16 by dick_runner
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤´óѧ081700£¬³õÊÔ·ÖÊý271 +5 kotoko_ik 2026-03-23 6/300 2026-03-24 10:29 by ѧÊõ°áשer
[¿¼ÑÐ] »·¾³Ñ§Ë¶288Çóµ÷¼Á +8 ƤƤƤ123456 2026-03-22 8/400 2026-03-23 23:47 by ÈÈÇéɳĮ
[¿¼ÑÐ] 269Çóµ÷¼Á +4 ÎÒÏë¶ÁÑÐ11 2026-03-23 4/200 2026-03-23 21:25 by pswait
[¿¼ÑÐ] ÉúÎïѧһ־Ը985£¬·ÖÊý349Çóµ÷¼Á +6 zxts12 2026-03-21 9/450 2026-03-23 18:37 by macy2011
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-20 3/150 2026-03-21 16:46 by barlinike
[¿¼ÑÐ] 330Çóµ÷¼Á0854 +3 assdll 2026-03-21 3/150 2026-03-21 13:01 by ²«»÷518
[¿¼ÑÐ] AÇøÏß²ÄÁÏѧµ÷¼Á +5 ÖÜÖÜÎÞ¼« 2026-03-20 5/250 2026-03-20 21:33 by laoshidan
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +5 @taotao 2026-03-20 5/250 2026-03-20 20:16 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û