24СʱÈÈÃŰæ¿éÅÅÐаñ    

±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3033  |  »Ø¸´: 7

xiaozufeng

½ð³æ (ÕýʽдÊÖ)


[½»Á÷] ´ò¿ª .fchk Îļþ×ÜÊdzö´í

¸÷λר¼Ò£¬Ð¡µÜÔÚ³¬ËãÖÐÐÄlinuxƽ̨ÏÂÓÃg09ËãµÄchkÎļþת»»ÎªfchkÎļþºóÔÚWindowsÏÂÓÃGView´ò¿ª×ÜÊÇ´ò¿ª³ö´í£¬³öÏÖ£º
CConnectionGFCHK:arse_GFCHK()
Missing or bad data: Alpha Orbital Energies
Line Number ***
»ò
CConnectionGFCHK:arse_GFCHK()
Missing or bad data: Beta Orbital Energies
Line Number ***
¼ûÈçÏÂÁ½¸öͼƬ£¬ÇëÎÊÕâ¸öÎÊÌâ¸ÃÈçºÎ½â¾öÄØ£¿Ð»Ð»£¡



»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

Á¿»¯Ñ§Ï°

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

ľÃ×ÔÂ…š

Òø³æ (ÎÄ̳¾«Ó¢)


¡ï
xiaozufeng(½ð±Ò+2): лл²ÎÓë
ÎÒÒ²¾­³£Óöµ½ÕâÎÊÌ⣬ÇóÖú
2Â¥2012-06-26 10:47:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¼Ù´ó¿Õ

ľ³æÖ®Íõ (ÎÄѧ̩¶·)


¡ï
xiaozufeng(½ð±Ò+2): лл²ÎÓë
ѧϰÇë¸ßÈ˵㲦
3Â¥2012-06-26 10:57:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

˼ÓêGÊ®Äê

½ð³æ (ÕýʽдÊÖ)


¡ï ¡ï
xiaozufeng(½ð±Ò+2): лл²ÎÓë
gmy1990: ½ð±Ò+1 2012-06-26 23:04:22
ÔÚLinuxÏ»òWindowsд×Ö°å´ò¿ª£¬°Ñindependent¸Ä³Éindependant±£´æÖ®ºó¾Í¿ÉÒÔ´òÀ´ÁË¡£¶÷ ֮ǰÓÐÈËÎʹýÀàËÆµÄÎÊÌâ¡£
4Â¥2012-06-26 16:28:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hairan

ľ³æ (ÖøÃûдÊÖ)


¡ï ¡ï
xiaozufeng(½ð±Ò+2): лл²ÎÓë
gmy1990: ½ð±Ò+1 2012-06-26 23:04:28
Â¥ÉÏÕýµÀ£¬ÕâÊÇGaussView 5.08µÄbug£¬5.09¾ÍûÓÐÕâ¸öÎÊÌâ
5Â¥2012-06-26 19:04:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xiaozufeng

½ð³æ (ÕýʽдÊÖ)


ÒýÓûØÌû:
5Â¥: Originally posted by hairan at 2012-06-26 19:04:55
Â¥ÉÏÕýµÀ£¬ÕâÊÇGaussView 5.08µÄbug£¬5.09¾ÍûÓÐÕâ¸öÎÊÌâ

ÏÖÔÚÓÐ5.09Â𣿴óÏÀÄܲ»ÄÜ·¢Ò»¸ö£¿ÎÒÓÊÏäÊÇxiaozufeng1988@sina.com,ллÁË
7Â¥2012-06-27 15:19:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

reid0011

½ð³æ (СÓÐÃûÆø)


¡ï
xiaozufeng(½ð±Ò+2): лл²ÎÓë
Äã¿´¿´ÕâÑùÄܽâ¾ö°É£º
ÓÃÃüÁ
formchk *.chk *.fchk&
»Ø³µºó¾ÍÄÜÉú³ÉfchkÎļþ£¬È»ºó°ÑfchkÎļþתµ½windows£¬ÔÙÓÃGaussView´ò¿ª¡£*´ú±íÎļþÃû¡£
8Â¥2013-01-22 16:38:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
aqyzgsab6Â¥
2012-06-27 10:59   »Ø¸´  
xiaozufeng(½ð±Ò+2): лл²ÎÓë
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ xiaozufeng µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 22408 ×Ü·Ö320£¬Ò»ÆªÂÛÎĶþ×÷£¬Á½¸ö¹úÈý£¬Çóµ÷¼Á +3 Leomulufu 2026-04-04 5/250 2026-04-05 19:04 by chongya
[¿¼ÑÐ] 275Çóµ÷¼Á +16 waltzh 2026-04-01 16/800 2026-04-05 17:14 by Hdyxbekcb
[¿¼ÑÐ] ¹¤¿ÆÇóµ÷¼Á +15 11ggg 2026-04-03 15/750 2026-04-05 16:24 by zzx2138
[¿¼ÑÐ] 0703×Ü·Ö331Çóµ÷¼Á +10 ZY-05 2026-04-04 13/650 2026-04-05 11:03 by xiayan13521
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-04 4/200 2026-04-05 09:44 by zhq0425
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©2£¬²ÄÁÏÓ뻯¹¤308Çóµ÷¼Á +10 ÐܶþÏëÉϰ¶ 2026-04-04 10/500 2026-04-05 05:20 by houyaoxu
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó0705Çóµ÷¼Á +3 éÙʮһ 2026-04-02 4/200 2026-04-05 00:05 by chongya
[¿¼ÑÐ] Äܶ¯µ÷¼Á326ר˶ +4 wan112233 2026-04-04 4/200 2026-04-04 22:47 by yu221
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +8 z1z2z3879 2026-03-31 8/400 2026-04-04 22:08 by hemengdong
[¿¼ÑÐ] Çóµ÷¼Á +3 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-04 3/150 2026-04-04 12:19 by Éá¶øºóµÃ
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 bvzz 2026-04-01 3/150 2026-04-03 09:47 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 295Çóµ÷¼Á +7 Ô¸ÂÃ;ÓÀԶ̹Ȼ 2026-04-02 7/350 2026-04-03 08:22 by fangshan711
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó²ÄÁϹ¤³Ì290Çóµ÷¼Á +20 Youth_ 2026-03-30 20/1000 2026-04-02 14:48 by 5896
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ085601²ÄÁϹ¤³ÌÓ¢Ò»Êý¶þ³õÊÔ×Ü·Ö335Çóµ÷¼Á +8 Ë«ÂíβƦÀϰå2 2026-04-02 9/450 2026-04-02 14:45 by 5896
[¿¼ÑÐ] ³õÊÔ301£¬´úÂë085701»·¾³¹¤³Ì£¬±¾Ë¶Ò»Ö£¬ËÄÁù¼¶Òѹý£¬ÓжþÇøÒ»×÷£¬¹²·¢±í5ƪÂÛÎÄ +6 axibli 2026-04-01 6/300 2026-04-02 13:42 by Ecowxq666£¡
[¿¼ÑÐ] 085601Ò»Ö¾Ô¸ÖÐɽ´óѧÉîÛÚ²ÄÁϹ¤³Ì330Çóµ÷¼Á +8 pipiver 2026-03-30 8/400 2026-04-02 12:01 by ms629
[¿¼ÑÐ] 279Çóµ÷¼Á +6 ѧ¶øË¼ÙâÖª 2026-04-01 6/300 2026-04-02 09:16 by vgtyfty
[¿¼ÑÐ] ¿¼Ñе÷¼Á +12 Amber00 2026-03-31 12/600 2026-04-02 09:04 by sanrepian
[¿¼ÑÐ] Ò»Ö¾Ô¸346ÉϺ£´óѧÉúÎïѧ +3 ÉϺ£´óѧ346µ÷¼Á 2026-04-01 3/150 2026-04-02 08:36 by w³æ³æ123
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +5 ¶¥¼¶²Á²Á 2026-03-31 5/250 2026-04-01 08:15 by fdcxdystjk£¤
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û