24СʱÈÈÃŰæ¿éÅÅÐаñ    

±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3486  |  »Ø¸´: 6
¡¾ÐüÉͽð±Ò¡¿»Ø´ð±¾ÌûÎÊÌ⣬×÷Õß1240906hs½«ÔùËÍÄú 50 ¸ö½ð±Ò

1240906hs

гæ (ÖøÃûдÊÖ)

[ÇóÖú] HOMO-LUMO gapÊǸºÖµ ÒÑÓÐ1È˲ÎÓë

ÏëÇë½Ì´óÉñ£¬Óøß˹¼ÆËãºóµÃµ½µÄÌåϵ
HOMOÄÜÁ¿ÊÇ-2.97 ev£¬
LUMOÄÜÁ¿ÊÇ-4.11 ev£¬
gapÊÇ-1.14 ev¡£
ΪʲôgapÊǸºÖµÄØ£¿
Õâ±íÃ÷Ê²Ã´ÄØ£¿
лл´óÉñ£¡

@jiewei ·¢×ÔСľ³æIOS¿Í»§¶Ë
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mikeliujd

гæ (ÕýʽдÊÖ)

2Â¥2021-02-23 09:57:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

paramecium86

°æÖ÷ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
Êä³öÎļþ·¢ÉÏÀ´¿´¿´¡£»òÕßÄãÊÇͨ¹ýʲôÀ´ÅжÏÄĸöÊÇHOMOÄĸöÊÇLUMOÄØ£¿
3Â¥2021-02-23 10:40:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lucent

ľ³æ (СÓÐÃûÆø)

Gauss Êä³öµÄÊÇa.u.µ«²»»áÊǸºµÄ¡£ÓÃGaussView´ò¿ªchkÎļþ¿´Ò»ÏÂ
4Â¥2021-02-26 22:11:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

1240906hs

гæ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by paramecium86 at 2021-02-23 10:40:28
Êä³öÎļþ·¢ÉÏÀ´¿´¿´¡£»òÕßÄãÊÇͨ¹ýʲôÀ´ÅжÏÄĸöÊÇHOMOÄĸöÊÇLUMOÄØ£¿

¸ÐлÄúµÄ»Ø¸´£¬ÎÒÉÏ´«²»ÁËÎļþºÍÕÕÆ¬¡­¡­
ÎÒÓÃgview´ò¿ª¿´µ½HomoºÍLumoµÄÖµ
ÆäËûÌåϵµÄgap¶¼ÊÇÕýÖµ£¬Ö»ÓÐÒ»¸öÌåϵ¾ÍÊÇÎÒÌáÎʵÄÌåÖÊgapÊǸºÖµ¡£


·¢×ÔСľ³æIOS¿Í»§¶Ë
5Â¥2021-03-03 03:36:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

1240906hs

гæ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by lucent at 2021-02-26 22:11:51
Gauss Êä³öµÄÊÇa.u.µ«²»»áÊǸºµÄ¡£ÓÃGaussView´ò¿ªchkÎļþ¿´Ò»ÏÂ

ÄúºÃ£¬ÎÒÕâ¸öÌåϵµÄa.u.²îÖµÒ²¾ÍÊÇHOMO-LUMO gap£¨LUMO-HOMO£©ÊǸºÖµ£¨Êý¾ÝÈçÌ⣩£¬ÓÃgview¼ì²é¹ýÁË£¬Êý¾Ý¶¼ÊÇÒ»ÑùµÄ¡£ÆäËûÌåϵµÃµ½µÄgap¶¼ÊÇÕýÖµ¡£
²»ÖªµÀʲôԭÒò»¹ÉÏ´«²»ÁËÎļþºÍÕÕÆ¬

·¢×ÔСľ³æIOS¿Í»§¶Ë
6Â¥2021-03-03 03:39:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

paramecium86

°æÖ÷ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
5Â¥: Originally posted by 1240906hs at 2021-03-02 14:36:27
¸ÐлÄúµÄ»Ø¸´£¬ÎÒÉÏ´«²»ÁËÎļþºÍÕÕÆ¬¡­¡­
ÎÒÓÃgview´ò¿ª¿´µ½HomoºÍLumoµÄÖµ
ÆäËûÌåϵµÄgap¶¼ÊÇÕýÖµ£¬Ö»ÓÐÒ»¸öÌåϵ¾ÍÊÇÎÒÌáÎʵÄÌåÖÊgapÊǸºÖµ¡£

...

¿ÉÒÔ´«µ½ÍøÅÌÀ·¢¸ö·ÖÏíÁ´½ÓÉÏÀ´¡£

·¢×ÔСľ³æIOS¿Í»§¶Ë
7Â¥2021-03-03 04:16:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ 1240906hs µÄÖ÷Ìâ¸üÐÂ
²»Ó¦Öú È·¶¨»ØÌûÓ¦Öú (×¢Ò⣺ӦÖú²Å¿ÉÄܱ»½±Àø£¬µ«²»ÔÊÐí¹àË®£¬±ØÐëÌîд15¸ö×Ö·ûÒÔÉÏ)
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 11408,335·Ö£¬±¾¿Æ211£¬Çóµ÷¼Á£¬¿Éתרҵ +5 öùÀæ´óöùÓã 2026-04-03 5/250 2026-04-04 22:49 by chongya
[¿¼ÑÐ] 301Çóµ÷¼Á +9 121. 2026-04-04 9/450 2026-04-04 22:31 by à£à£à£0119
[¿¼ÑÐ] 283Çóµ÷¼Á +4 mcbbc 2026-04-03 5/250 2026-04-04 20:51 by imissbao
[¿¼ÑÐ] 319Çóµ÷¼Á +4 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 4/200 2026-04-04 16:25 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 081700»¯Ñ§¹¤³ÌÓë¼¼Êõ Ò»Ö¾Ô¸Öк£Ñó 323 Çóµ÷¼ÁѧУ +15 ÅûÐÇºÓ 2026-04-03 15/750 2026-04-04 16:25 by dongzh2009
[¿¼ÑÐ] ±¾¿Æ211£¬×¨Òµ085404£¬293·ÖÇëÇóµ÷¼Á +5 Á«²Ë¾ÍÊÇź°É 2026-04-04 5/250 2026-04-04 14:08 by ÕâÊÇÒ»¸öÎÞÁĵÄê
[¿¼ÑÐ] 282Çóµ÷¼Á +20 ycy1201 2026-04-01 22/1100 2026-04-04 00:42 by userper
[¿¼ÑÐ] 322Çóµ÷¼Á +4 FZAC123 2026-04-03 4/200 2026-04-03 20:55 by zhq0425
[¿¼ÑÐ] »úеר˶297 +3 Afksy 2026-04-03 3/150 2026-04-03 14:24 by 1753564080
[¿¼ÑÐ] 282Çóµ÷¼Á +5 ºôÎü¶¼ÊǼõ·Ê 2026-03-31 5/250 2026-04-03 12:03 by 1753564080
[¿¼ÑÐ] ³õÊԳɼ¨337ÕÒµ÷¼Á +3 ??? ?. ? 2026-04-03 3/150 2026-04-03 11:43 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 330Çóµ÷¼Á +3 °×ÉñÎØºôºô 2026-04-02 3/150 2026-04-03 10:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 362Çóµ÷¼Á +14 Î÷ÄϽ»²ÄÁÏר˶3 2026-03-31 14/700 2026-04-02 17:50 by yunlongyang
[¿¼ÑÐ] 272Çóµ÷¼Á£¬½ÓÊÜ¿çרҵµ÷¼Á£¡ +4 ÏÐÓ㬠2026-03-31 4/200 2026-04-02 11:18 by guyan1000
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶£¬×Ü·Ö289·Ö +11 @taotao 2026-03-29 11/550 2026-04-02 10:04 by realme321
[¿¼ÑÐ] 296Çóµ÷¼Á +4 Íô£¡£¿£¡ 2026-03-31 7/350 2026-04-01 22:04 by ¿Í¶ûÃÀµÂ
[¿¼ÑÐ] 262Çóµ÷¼Á +9 ÀøÖ¾Ò»¶¨·¢ÎÄÕ 2026-03-31 10/500 2026-04-01 12:22 by sunshine0013
[¿¼ÑÐ] 085410È˹¤ÖÇÄÜ ³õÊÔ316·Ö Çóµ÷¼Á +3 ²ÐÐÇ·÷Êï 2026-03-31 3/150 2026-04-01 11:09 by СÐÜraider
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +7 Ë«ÂíβƦÀϰå2 2026-03-31 7/350 2026-03-31 19:49 by Dyhoer
[¿¼²©] ²ÄÁÏרҵÉ격 +5 ¶ÅÓêæÃdyt 2026-03-29 5/250 2026-03-31 11:19 by oooqiao
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û