²é¿´: 2111  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

Jesly521

гæ (³õÈëÎÄ̳)

[ÇóÖú] ¸ß˹03Ôõô²éÕÒÿ¸öÔ­×Ó¶ÔÓ¦µÄ¹ìµÀÄÜÁ¿±ß¾³µç×ÓÃܶȣ¿ ÒÑÓÐ1È˲ÎÓë

ÔËÓøß˹03°æÓÅ»¯ÁËÒ»¸ö·Ö×Ó£¬È»ºóµÃµ½ÁËÒ»¸ötxtµÄ½á¹û£¬µ«ÎÒ²»ÖªµÀÔõôÕÒ³öÿ¸öÔ­×ÓËù¶ÔÓ¦µÄ The frontier electron densities (FEDs) of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) £¬Çë¸÷λ´óÉñ°ïæ~~~

¸ß˹03Ôõô²éÕÒÿ¸öÔ­×Ó¶ÔÓ¦µÄ¹ìµÀÄÜÁ¿±ß¾³µç×ÓÃܶȣ¿
FE)C`Y0)FR@5XE8~CH75[Z0.png
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¾­Ñé

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

Jesly521

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by Ò»ÊÒÑô¹â1 at 2015-06-01 01:40:06
occÄÇÐÐ×îºóÒ»¸öÊýÊÇLUMO£¬virtÄÇÐеÚÒ»¸öÊýÊÇHOMO,±ðÎÊÎÒÔõô֪µÀµÄ£¬²ÂµÄ£¬×øµÈ´óÉñ

ÎÒÏëÕÒµÄÊÇÿ¸öÔ­×Ó¶ÔÓ¦µÄHOMO£¬LUMOµÄÇ°ÑØµç×ÓÃܶȣ¬²»ÊÇÕû¸ö·Ö×ÓµÄHOMO£¬LUMO~~
6Â¥2015-06-01 11:32:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

Ò»ÊÒÑô¹â1

ľ³æ (ÖøÃûдÊÖ)

occÄÇÐÐ×îºóÒ»¸öÊýÊÇLUMO£¬virtÄÇÐеÚÒ»¸öÊýÊÇHOMO,±ðÎÊÎÒÔõô֪µÀµÄ£¬²ÂµÄ£¬×øµÈ´óÉñ

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
2Â¥2015-06-01 01:40:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhou2009

°æÖ÷ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ÒýÓûØÌû:
2Â¥: Originally posted by Ò»ÊÒÑô¹â1 at 2015-06-01 01:40:06
occÄÇÐÐ×îºóÒ»¸öÊýÊÇLUMO£¬virtÄÇÐеÚÒ»¸öÊýÊÇHOMO,±ðÎÊÎÒÔõô֪µÀµÄ£¬²ÂµÄ£¬×øµÈ´óÉñ

ÊDz»ÊDZÊÎó£¿Ó¦ÊÇ£º
occĩβ×îºóÒ»¸öÊýÊÇHOMO£¬virt¿ªÍ·ÄÇÐеÚÒ»¸öÊýÊÇLUMO¡£
3Â¥2015-06-01 08:46:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ò»ÊÒÑô¹â1

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by zhou2009 at 2015-06-01 08:46:12
ÊDz»ÊDZÊÎó£¿Ó¦ÊÇ£º
occĩβ×îºóÒ»¸öÊýÊÇHOMO£¬virt¿ªÍ·ÄÇÐеÚÒ»¸öÊýÊÇLUMO¡£...

²»ÊÇ¡£¡£¡£

[ ·¢×ÔСľ³æ¿Í»§¶Ë ]
4Â¥2015-06-01 10:23:37
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[½Ìʦ֮¼Ò] µ¼Ê¦Í²ۣºÎÒÔõô̯ÉÏÁËÕâô¸ö¼«Æ·Ñо¿Éú£¡ +9 ËÕ¶«ÆÂ¶þÊÀ 2026-08-23 9/450 2026-08-29 14:41 by hustersqt
[¿¼²©] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8.O.55.1.O54,¿ÆÄ¿È«,¿ÉÙ¤¼± +4 ASdOkHsho7FD 2026-08-28 7/350 2026-08-29 14:15 by jCd0dEvKHShX
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8.O55.1.O.54,¿ÆÄ¿È«,¿ÉÊ®¼± +3 ASdOkHsho7FD 2026-08-28 9/450 2026-08-29 13:41 by jCd0dEvKHShX
[¿¼ÑÐ] ÊÛÒ»ÇøSCIÎÄÕÂT0P£¬ÎÒ:8O.551.O54,¿ÆÄ¿È«,¿ÉÊ®¼± +4 ASdOkHsho7FD 2026-08-28 6/300 2026-08-29 11:40 by jCd0dEvKHShX
[¿¼ÑÐ] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8.O.55.1.O.54,¿ÆÄ¿ÆëÈ«,¿ÉÙ¤¼± +6 ASdOkHsho7FD 2026-08-28 9/450 2026-08-29 11:18 by jCd0dEvKHShX
[»ù½ðÉêÇë] ¹ú×ÔÈ»ÆÀÉóÒâ¼û +13 wangmingqi 2026-08-28 19/950 2026-08-29 10:22 by Poppy1104
[»ù½ðÉêÇë] ÎÒ¾ÍÊÇÉêÇëÒ»¸öÃæÉÏÏîÄ¿¶øÒÑ£¬ÕâÆÀÉóÒâ¼ûÊǰ´ÕÕ½ÜÇàµÄÌõ¼þÆÀµÄ°É£¿ +6 gouxfjh 2026-08-28 9/450 2026-08-29 09:59 by jklily
[½Ìʦ֮¼Ò] ÊÛSCI-T0PÎÄÕ£¬ÎÒ:8O.5.5.1.O.54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 ASdOkHsho7FD 2026-08-28 7/350 2026-08-29 09:26 by G6APbkg8SA6w
[»ù½ðÉêÇë] »ù½ðϵͳʲôÄÚÈÝҲûÓÐ 30+4 winsaint 2026-08-27 9/450 2026-08-28 11:06 by maolC
[»ù½ðÉêÇë] ÃæÉϺÏ×÷µ¥Î»¸ÇÕ +5 ssyjh 2026-08-27 5/250 2026-08-27 20:50 by gdfollow
[»ù½ðÉêÇë] ÉêÇëɾ³ý±¾Ìû +6 lyz123lyz 2026-08-27 7/350 2026-08-27 17:31 by Äþ¾²ÖÂÔ¶sy
[»ù½ðÉêÇë] ¿´°åÉÏÕâô¶àÖеģ¬ÓеãÏñ50ÈËȺÀï49¸öÈ˶¼ÊÇÆ­×ÓµÄÄÇÖָоõ¡­¡­ +5 a089 2026-08-26 6/300 2026-08-27 14:05 by jonewore
[»ù½ðÉêÇë] Ôõô¿´Çà»ùÖÐÁËûÓа¡ +5 Ò¶¾Å΢ 2026-08-26 5/250 2026-08-27 10:35 by l_zh2008
[ÎÄѧ·¼²ÝÔ°] ÃÎÏë +3 myrtle 2026-08-26 3/150 2026-08-27 10:01 by angelyueyi
[»ù½ðÉêÇë] ¹úºÏ¿É²éÁË +3 paperzjh 2026-08-26 3/150 2026-08-26 10:41 by LemmonTr
[»ù½ðÉêÇë] ½ñÌìÎñί»á¿ªÍêÁË£¬Ã÷Ìì³ö½á¹ûÂð +19 angus9576 2026-08-25 23/1150 2026-08-26 10:03 by zp519
[Ö°³¡ÈËÉú] ѧÉúײ¼û¸¨µ¼Ô±ËÍÍâÂô£¬µÚ¶þÌìÈ«°à¶¼³ÁĬÁË +3 ¾¨ÓãÈÚ½ð_Õã½­_É 2026-08-22 3/150 2026-08-26 09:01 by zzuzxg
[»ù½ðÉêÇë] Å£À´£¡Ã×À´£¡ÃæÀ´£¡ +8 beefly 2026-08-26 8/400 2026-08-26 08:37 by xuzhipiao
[»ù½ðÉêÇë] ÔÚ¼á±ù»¹¸Ç×ű±º£µÄʱºò£¬ÎÒ¿´µ½ÁËÅ­·ÅµÄ÷»¨¡£ (½ð±Ò+10) +6 ziyangfang 2026-08-25 9/450 2026-08-25 20:26 by huagongfeihu
[»ù½ðÉêÇë] ûÓÐÈκÎÏûÏ¢-ÊDz»ÊǾÍÁ¹ÁË +9 ͼÀ²Í¼À² 2026-08-24 10/500 2026-08-25 11:59 by ÄϺ£Ð¡¸ç
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û