²é¿´: 2283  |  »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

Сºì¶¹

Ö÷¹ÜÇø³¤ (ÖªÃû×÷¼Ò)

ÓÅÐãÇø³¤ÓÅÐãÇø³¤

½¨Ò飡

Äã¿ÉÒÔÓÃgaussian03/98 ³ÌÐò¼ÆËã!
7Â¥2007-04-25 16:27:42
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] 328Çóµ÷¼Á£¬Ó¢ÓïÁù¼¶551£¬ÓпÆÑо­Àú +3 ÉúÎ﹤³Ìµ÷¼Á 2026-03-16 4/200 2026-03-16 20:13 by Wangjingyue
[¿¼ÑÐ] Ò»Ö¾Ô¸211 0703·½Ïò310·ÖÇóµ÷¼Á +3 ŬÁ¦·Ü¶·112 2026-03-15 3/150 2026-03-16 16:44 by houyaoxu
[¿¼ÑÐ] 0703»¯Ñ§336·ÖÇóµ÷¼Á +3 zbzihdhd 2026-03-15 3/150 2026-03-16 16:44 by ÎҵĴ¬Îҵĺ£
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +6 ÄÝÄÝninicgb 2026-03-15 9/450 2026-03-16 16:40 by houyaoxu
[¿¼ÑÐ] 311Çóµ÷¼Á +5 26ÑÐ0 2026-03-15 5/250 2026-03-16 16:21 by a²»Ò×
[¿¼ÑÐ] 0703Ò»Ö¾Ô¸211 285·ÖÇóµ÷¼Á +5 ly3471z 2026-03-13 5/250 2026-03-16 16:16 by ŶŶ123
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 328Çóµ÷¼Á +3 5201314Lsy£¡ 2026-03-13 6/300 2026-03-14 15:31 by hyswxzs
[¿¼ÑÐ] 0703£¬333·ÖÇóµ÷¼Á Ò»Ö¾Ô¸Ö£ÖÝ´óѧ-ÎïÀí»¯Ñ§ +3 Àîħٶ·Åñ 2026-03-11 3/150 2026-03-13 22:24 by JourneyLucky
[¿¼ÑÐ] 26µ÷¼Á/²ÄÁÏ/Ó¢Ò»Êý¶þ/×Ü·Ö289/ÒѹýAÇøÏß +6 ²½´¨¿á×Ï123 2026-03-13 6/300 2026-03-13 21:59 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] ¹¤¿Æ£¬Çóµ÷¼Á +3 ÎÒ887 2026-03-11 3/150 2026-03-13 21:39 by JourneyLucky
[¿¼ÑÐ] 333Çóµ÷¼Á +3 ÇòÇò¹ÅÁ¦ 2026-03-11 3/150 2026-03-13 21:27 by JourneyLucky
[¿¼ÑÐ] 281Çóµ÷¼Á +9 Koxui 2026-03-12 11/550 2026-03-13 20:50 by Koxui
[¿¼ÑÐ] 310Çóµ÷¼Á +3 ¡¾ÉÏÉÏÇ©¡¿ 2026-03-11 3/150 2026-03-13 16:16 by JourneyLucky
[¿¼ÑÐ] ¹¤¿Æ278·ÖÇóµ÷¼Á +5 ÖÜÂýÈȰ¡ 2026-03-12 7/350 2026-03-13 15:49 by JourneyLucky
[¿¼ÑÐ] ¹¤¿Æ²ÄÁÏ085601 279Çóµ÷¼Á +8 À§ÓÚÐdz¿ 2026-03-12 10/500 2026-03-13 15:42 by ms629
[¿¼ÑÐ] 277Çóµ÷¼Á +4 anchor17 2026-03-12 4/200 2026-03-13 11:15 by °×Ò¹ÓÆ³¤
[¿¼ÑÐ] 08ʳƷ»òÇṤÇóµ÷¼Á£¬±¾¿Æ·¢±í3ƪsciÒ»ÇøtopÂÛÎÄ£¬Ò»Ö¾Ô¸ÄÏʦ´óʳƷ¿ÆÑ§Ó빤³Ì +3 ÎÒÊÇÒ»¸ö±ø£¬ 2026-03-10 3/150 2026-03-13 10:21 by Yuyi.
[¿¼ÑÐ] ¹¤¿Æ0856ר˶»¯Ñ§¹¤³Ì269Äܵ÷¼ÁÂð +10 ÎÒÏë¶ÁÑÐ11 2026-03-10 10/500 2026-03-13 10:14 by Yuyi.
[¿¼ÑÐ] 279Çóµ÷¼Á +3 Īxiao 2026-03-10 4/200 2026-03-11 08:06 by Õ¶»êµÎÍÃ×Ó£¡
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û