±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2335  |  »Ø¸´: 15
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

tritiger

Í­³æ (Ö°Òµ×÷¼Ò)

[½»Á÷] ÈçºÎÓüÆËã»úÇó³ö·Ö×ÓµÄHOMO&LUMO£¿

ÈçºÎÓüÆËã»úÇó³ö·Ö×ÓµÄHOMO&LUMO£¿

ÓÃHyperchem or Chemdraw.

[ Last edited by biezhi on 2007-3-17 at 23:19 ]
»Ø¸´´ËÂ¥
¹ÅÈË˵£º¡°ÈËÎÞÔ¶ÂÇ£¬±ØÓнüÓÇ¡±À˵£º¡°ÈËÓнüÓÇ£¬²ÅÓÐÔ¶ÂÇ¡±ÎÒ˵£º¡°ÈËÓÐÔ¶ÂÇ£¬²ÅÓнüÓÇ¡±
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ustc

½ð³æ (ÖøÃûдÊÖ)

¡ï
biezhi(½ð±Ò+1):ÊÚÖ®ÒÔÓ㣬²»ÈçÊÚÖ®ÒÔÓæ£¬ÄãËµÄØ£¿Ï£ÍûÄܹ»½²µÄ¸ü¼ÓÏêϸµã¡£
hyperchem¼ÆËãµÄ½á¹û²»ÊǺÜ×¼
ÓÃgaussian³ÌÐò¼ÆËã»áºÃµÄ¶àÁË£¡
ÎÒ×ö¹ýºÜ¶à£¬ÐèÒªµÄ»°£¬ºÍÎÒÁªÏµ£¬ÎÒ°ïÄã×÷
5Â¥2007-03-29 09:08:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 16 ¸ö»Ø´ð

qianfp

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

¡ï
biezhi(½ð±Ò+1):лл£¡
ChemDrawÊDz»ÄÜÇóHOMOÓëLUMOµÄ.
ÓÃHyperChemÔò¿ÉÒÔ,Ö»ÐëÀ­ÏÂFile²Ëµ¥,µã»÷Start Log...,½«¼ÆËã½á¹ûÖ¸¶¨µ½ÄãÏ£ÍûµÄÎļþÖÐ(ȱʡµÄ½á¹ûÎļþÊÇChem.log,¿ÉÒÔÓÃÎı¾±à¼­Æ÷Èçnotepad»òUltraEdit´ò¿ª),×¢ÒâÑ¡Ôñ²»Í¬µÄ"Quantum Print Level",Quantum Print Level¿ÉÒÔÈ¡0-9µÄÕûÊý,½á¹ûÎļþÖеÄÐÅÏ¢Á¿¸ù¾ÝÑ¡ÔñµÄQuantum Print Level²»Í¬¶ø²»Í¬!
2Â¥2007-01-30 13:28:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

palalala

Òø³æ (³õÈëÎÄ̳)

chemdrawÊÇchemofficeµÄ×é¼þ£¬chemofficeÖÐchem3D ultra¿ÉÒÔËã
3Â¥2007-02-01 01:35:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gemmy

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by qianfp at 2007-1-30 01:28 PM:
ChemDrawÊDz»ÄÜÇóHOMOÓëLUMOµÄ.
ÓÃHyperChemÔò¿ÉÒÔ,Ö»ÐëÀ­ÏÂFile²Ëµ¥,µã»÷Start Log...,½«¼ÆËã½á¹ûÖ¸¶¨µ½ÄãÏ£ÍûµÄÎļþÖÐ(ȱʡµÄ½á¹ûÎļþÊÇChem.log,¿ÉÒÔÓÃÎı¾±à¼­Æ÷Èçnotepad»òUltraEdit´ò¿ª),×¢ÒâÑ¡Ôñ²»Í¬µÄ&q ...

ÇëÎÊ, ÔõôËã?
4Â¥2007-02-05 01:45:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯¹¤Çóµ÷¼Á£¡ +17 RichLi_ 2026-04-06 17/850 2026-04-06 22:26 by qlm5820
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +3 СÁõͬѧ߹߹ 2026-04-06 4/200 2026-04-06 20:56 by lbsjt
[¿¼ÑÐ] Ò»Ö¾Ô¸¹ú¿Æ´óÐŹ¤Ëù,Ó¢¶þÊý¶þ408×Ü·Ö293·ÖÇóµ÷¼Á +3 ilcyuan 2026-04-02 4/200 2026-04-06 16:35 by likeihood
[¿¼ÑÐ] Çóµ÷¼Á£¡ÉúÎïÓëҽҩר˶ +5 Äæ×ªÂ½ÏÈÉú 2026-04-01 6/300 2026-04-06 12:49 by lys0704
[¿¼ÑÐ] 377Çóµ÷¼Á +6 by.ovo 2026-04-05 6/300 2026-04-05 22:18 by dongzh2009
[¿¼ÑÐ] 285Çóµ÷¼Á +4 ¶ñ·¨´ó¶þµÄÆøÎ¶ß 2026-04-05 5/250 2026-04-05 20:32 by 286640313
[¿¼ÑÐ] 327Çóµ÷¼Á +4 ʰ¹âÈÎȾ 2026-04-05 4/200 2026-04-05 20:16 by ÄϺ½~ÍòÀÏʦ
[¿¼ÑÐ] Ò»Ö¾Ô¸9²ÄÁÏѧ˶297ÒѹýÁù¼¶Çóµ÷¼ÁÍÆ¼ö +11 adaie 2026-04-04 12/600 2026-04-05 19:04 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸µç×ӿƼ¼´óѧ085600²ÄÁÏÓ뻯¹¤ 329·ÖÇóµ÷¼Á +10 Naiko 2026-04-04 10/500 2026-04-05 09:40 by sam3303
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£´óѧÉúÎïѧ346 +3 ÉϺ£´óѧ346µ÷¼Á 2026-04-03 3/150 2026-04-04 20:20 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏÅ©090401£¬268£¬Çóµ÷¼Á +5 һľÄñÈ» 2026-04-04 5/250 2026-04-04 17:07 by babysonlkd
[¿¼ÑÐ] 266·Ö£¬Ò»Ö¾Ô¸µçÆø¹¤³Ì£¬±¾¿Æ²ÄÁÏ£¬Çó²ÄÁÏרҵµ÷¼Á +9 ÍÛºôºßºôºß 2026-04-02 9/450 2026-04-03 12:05 by 1753564080
[¿¼ÑÐ] 296Çóµ÷¼Á +4 sdhu 2026-04-02 4/200 2026-04-02 21:29 by baoball
[¿¼ÑÐ] ²ÄÁÏ340·Öµ÷¼Á +7 ÏÄÒ¹Íí·ç_long 2026-04-02 9/450 2026-04-02 21:20 by dongzh2009
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ¸µÎÄÇï 2026-04-02 5/250 2026-04-02 18:10 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] Çóµ÷¼Á +7 Aniyaio 2026-04-02 7/350 2026-04-02 16:42 by zzsw+
[¿¼ÑÐ] 285Çóµ÷¼Á +14 AZMK 2026-04-02 14/700 2026-04-02 15:54 by ÉϾÅÌìÀ¿Ô£¨ºÃÔ
[¿¼ÑÐ] ²ÄÁϹ¤³Ì322·Ö +8 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 8/400 2026-04-02 11:53 by 3041
[¿¼ÑÐ] 272Çóµ÷¼Á£¬½ÓÊÜ¿çרҵµ÷¼Á£¡ +4 ÏÐÓ㬠2026-03-31 4/200 2026-04-02 11:18 by guyan1000
[¿¼ÑÐ] Çóµ÷¼Á0703 +5 ÖܼÎÒ¢ 2026-03-31 8/400 2026-04-01 20:32 by ltltkkk
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û