Znn3bq.jpeg
²é¿´: 1277  |  »Ø¸´: 9
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß jingyybuaa µÄ 3 ¸ö½ð±Ò
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

jingyybuaa

Í­³æ (СÓÐÃûÆø)

[½»Á÷] [ÇóÖú]ÓÃGaussView»­±½µÄ·Ö×Ó¹ìµÀ

ÓÐÁËchkÎļþ£¬ÔõÑù²ÅÄÜ»­³öËüµÄPI¹ìµÀ°¡£¿
¾ÍÊÇÄö¹ìµÀÊÇËüµÄPI¹ìµÀ°¡£¿ ÊÇ15-21Âð£¿
¸ßÊÖÖ¸½Ì°¡

[ Last edited by yjcmwgk on 2009-11-13 at 19:02 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nxf_2008

ľ³æ (ÕýʽдÊÖ)

¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
ÓÃGaussView´ò¿ªchkÎļþ£¬ÔÚResultsÖдò¿ªsurfaces,Ñ¡ÔñHOMOºÍLUMO¼ÆËã¾Í¿ÉÒÔ°¡
Ìì¸ßÈÎÄñ·É£¬º£À«Æ¾ÓãÔ¾£¡
3Â¥2008-11-03 10:48:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

bay__gulf

½ð³æ (ÖøÃûдÊÖ)

ÁõËÕÖÝ

¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
edit > MOs > visualize
ʣϵÄËæ±ãŪ
2Â¥2008-11-03 08:59:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jingyybuaa

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by nxf_2008 at 2008-11-3 10:48:
ÓÃGaussView´ò¿ªchkÎļþ£¬ÔÚResultsÖдò¿ªsurfaces,Ñ¡ÔñHOMOºÍLUMO¼ÆËã¾Í¿ÉÒÔ°¡

LUMOÒ²ÊÇËüµÄPI¹ìµÀÂð£¿
4Â¥2008-11-03 17:26:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yeziwon

Í­³æ (³õÈëÎÄ̳)

¡ï ¡ï
zzgyb(½ð±Ò+2,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
1.Óà GaussView --´ò¿ªFile ´ò¿ªOpen ´ò¿ª*.chkÎļþ
Ò»°ãchkÎļþ±£´æÔÚÄãµÄscratchÎļþÏÂ
2.´ò¿ªºóµã»÷GaussView×îÓÒ²àµÄMolecular Orbital Editor
´ò¿ªºóÑ¡Ôñ Visualize
È»ºóÑ¡ÔñÄãÒªµÄHOMO»òÕßLUMO»òÕßOrbital
µã»÷ Update
È»ºóµã»÷ok
Ö®ºó¸Õ¸Õ´ò¿ªµÄÒ³Ãæ»áÏûʧ
Ôٴεã»÷GaussView×îÓÒ²àµÄMolecular Orbital Editor
Äã¾Í»á¿´µ½ÏëÒªµÄ·Ö×Ó¹ìµÀͼÐÎ
If you believe it, you can achieve it.
5Â¥2008-11-04 11:19:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703»¯Ñ§ +29 ÄÝÄÝninicgb 2026-04-04 32/1600 2026-04-08 22:50 by Öí»á·É
[¿¼ÑÐ] 293µ÷¼Á +20 yj1221 2026-04-08 21/1050 2026-04-08 22:37 by Öí»á·É
[¿¼ÑÐ] »úе¹¤³Ì313·ÖÕÒ¹¤¿Æµ÷¼Á +3 ˫һÁ÷±¾¿Æ»úе 2026-04-08 3/150 2026-04-08 20:41 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 0703µ÷¼Á£¬Ò»Ö¾Ô¸Ìì½ò´óѧ319·Ö +23 haaaabcd 2026-04-05 26/1300 2026-04-08 16:19 by luoyongfeng
[¿¼ÑÐ] ²ÄÁÏר˶(0856) 339·ÖÇóµ÷¼Á +16 ¹þ¹þ¹þ¶ì¹þ¹þ¹þ 2026-04-05 16/800 2026-04-08 16:02 by luoyongfeng
[¿¼ÑÐ] 275Çóµ÷¼Á +4 1624447980 2026-04-08 5/250 2026-04-08 15:29 by ŶŶ123
[¿¼ÑÐ] Ò»Ö¾Ô¸µç×ӿƼ¼´óѧ085600²ÄÁÏÓ뻯¹¤ 329·ÖÇóµ÷¼Á +11 Naiko 2026-04-04 11/550 2026-04-08 14:00 by wutongshun
[¿¼ÑÐ] 277Çóµ÷¼Á +4 ¿¼Ñе÷¼Álxh 2026-04-06 6/300 2026-04-08 10:40 by ÄæË®³Ë·ç
[¿¼ÑÐ] 388Çóµ÷¼Á +6 ËÄ´¨ÍõÌÎ 2026-04-07 8/400 2026-04-08 00:17 by JourneyLucky
[¿¼ÑÐ] µ÷¼ÁÇóÖú£¨ÉúÎïÓëÒ½Ò©£© +6 @6952 2026-04-06 6/300 2026-04-07 23:52 by lys0704
[¿¼ÑÐ] 22408 318·ÖÇóµ÷¼Á +4 ÇڷܵÄСÁý°ü 2026-04-06 6/300 2026-04-07 15:05 by Ö½º×555
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +11 Áº¸»¹óÏÕÖÐÇó 2026-04-04 13/650 2026-04-06 07:24 by houyaoxu
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÖÕ²»ËÆ´Óǰ 2026-04-05 3/150 2026-04-05 20:07 by à£à£à£0119
[¿¼ÑÐ] ¹¤¿ÆÇóµ÷¼Á +15 11ggg 2026-04-03 15/750 2026-04-05 16:24 by zzx2138
[¿¼ÑÐ] µ÷¼ÁÇóÖú +10 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-02 13/650 2026-04-05 09:41 by sam3303
[¿¼ÑÐ] ÄÐÉú£¬Ò»Ö¾Ô¸»¦9ÉúÎïѧ071000£¬³õÊÔ308Çóµ÷¼Á +3 Áõīī 2026-04-04 3/150 2026-04-05 08:26 by barlinike
[¿¼ÑÐ] 333Çóµ÷¼Á +12 wfh030413@ 2026-04-03 13/650 2026-04-04 21:02 by jj987
[¿¼ÑÐ] 342Çóµ÷¼Á +3 Liang7111 2026-04-04 5/250 2026-04-04 19:47 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358 +6 cs0106 2026-04-03 6/300 2026-04-04 11:20 by w_xuqing
[¿¼ÑÐ] 400·ÖÇóµ÷¼Á +3 ÞÏÞÎÇÒÄÓÍ· 2026-04-04 3/150 2026-04-04 08:41 by jp9609
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û