±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1109  |  »Ø¸´: 3

penghcp

ľ³æ (СÓÐÃûÆø)

¿É°®Ð¡Ã¨ßä

[½»Á÷] ¡¾ÇóÖú¡¿´óϺÃÇÇë½ø£¬¸ß˹ÖÐfchkÎļþ³ö´í ÒÑÓÐ2È˲ÎÓë

rt£º СµÜÔÚLinuxϽ«.chkת»¯.fchk£¬µ«ÊÇÔÚgviewÏÂÈ´ÔõôҲ´ò²»¿ª£¬logÎļþÕý³£½áÊø¡£ÌáʾÕýÔÚ743ÐÐÓÐ´í£¬µ«ÊÇÎÒ·¢ÏÖûɶ´íÎó°¡£¨ºÍÄÜ´ò¿ªµÄ¡£fchkÏà±È£©


[ Last edited by penghcp on 2010-10-8 at 18:28 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zhangmt

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

ÎÒ½ÐMT

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Alpha Orbital Energies
¸Ä³ÉAlpha MO Energies
×¢ÒâºóÃæÔö¼Ó¿Õ¸ñ£¬±£³ÖÄǸöRÓëÉÏÃæÄÇÐеÄIÒÀ¾É¶ÔÆë£¬
È»ºó´æÅÌÍ˳ö£¬ÖØÐ´ò¿ª£¬¼´¿É¡£
һȺ×ÔÒÔΪÕýÒåÁÝÈ»µÄÄêÇáÈ˽«Ò»Çв»ÄÜÒÔ¿ÆÑ§½âÊ͵ÄÊÂÇ鶨ÐÔΪ·â½¨ÃÔÐŲ¢´óµ¶À«¸«µØ½øÐÐÏûÃð£¬ÆäʵÕâÊÇÐÞÑø²»×ãѧʶdz±¡µÄÒ»ÖÖÌåÏÖ£¬Ò²ÊǿɶñµÄƫִºÍÓÞ´ÀµÄ×ÔÒÔ
2Â¥2010-10-09 00:55:31
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiechong

½ð³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
Ã²ËÆÕâ¸öÊÇgaussian 09¸ã³öÀ´µÄbug°É
3Â¥2010-10-09 05:41:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiechong

½ð³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÒªÊÇÖ»ÓÐÒ»¶þÊ®¸öÔ­×Ó»¹ºÃ,ÒªÊÇÓÐÒ»Á½Ç§¸öÔ­×Ó¸ÃÕ¦ÊÖ¶¯¸Äѽ,Ò»°ãµÄµçÄÔÄÜ´òµÄ¿ª²»
4Â¥2010-10-09 05:57:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ penghcp µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÍÁľˮÀûר˶276·ÖÇóµ÷¼Á +3 ÎÒÏëÉÏѧ£¡£¡6 2026-04-05 6/300 2026-04-06 18:51 by ÎÒÏëÉÏѧ£¡£¡6
[¿¼ÑÐ] 290Çóµ÷¼Á085701 +11 1314Åõ»¨ 2026-04-02 11/550 2026-04-06 13:31 by zllcz
[¿¼ÑÐ] µ÷¼Á +3 Àî¹ã»ð 2026-04-05 3/150 2026-04-05 18:57 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 307·Ö²ÄÁÏרҵÇóµ÷¼Á +7 Hllºú 2026-04-05 7/350 2026-04-05 18:47 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 298Çóµ÷¼Á +3 manman511 2026-04-05 3/150 2026-04-05 18:09 by kk112233
[¿¼ÑÐ] 085500»úеר˶³õÊÔ288Çóµ÷¼Á +3 GZJguo666- 2026-04-05 3/150 2026-04-05 18:06 by jkddd
[¿¼ÑÐ] 08ר˶275µ÷¼Á +5 AaAa7420 2026-04-05 5/250 2026-04-05 18:01 by jkddd
[¿¼ÑÐ] 358Çóµ÷¼Á +7 Çïgk 2026-04-04 7/350 2026-04-05 13:29 by huangmoli
[¿¼ÑÐ] 324Çóµ÷¼Á +14 ÏëÉÏѧÇóµ÷ 2026-04-02 15/750 2026-04-04 20:31 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 363Çóµ÷¼Á +7 zh096 2026-04-04 7/350 2026-04-04 17:13 by dongzh2009
[¿¼ÑÐ] ÔõôɾÌû×Ó°¡ +3 ·ìêØ1000 2026-04-04 3/150 2026-04-04 14:20 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ì339Çóµ÷¼Á +12 hyz0119 2026-03-31 13/650 2026-04-03 18:33 by lsÁõ˧
[¿¼ÑÐ] Çóµ÷¼Á²»Ìôרҵ +3 xrh030412 2026-04-01 3/150 2026-04-03 14:40 by µªÆøÆøÆø
[¿¼ÑÐ] ¹¤¿Æ341·Öµ÷¼Á +3 Âå¶àÂÞ 2026-04-03 3/150 2026-04-03 14:20 by 1753564080
[¿¼ÑÐ] ר˶ 351 086100 Ò²ÊÇ¿¼µÄ²Ä¿Æ»ù ±¾¿ÆÒ²ÊDzÄÁÏ +8 202451007219 2026-04-02 8/400 2026-04-03 09:50 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 324Çóµ÷¼Á +5 ÏëÉÏѧÇóµ÷ 2026-04-01 6/300 2026-04-02 10:16 by sanrepian
[¿¼ÑÐ] Ò»Ö¾Ô¸ÏÃÃÅ´óѧ»¯Ñ§¹¤³Ì£¨×¨Ë¶£©-Êý¶þÓ¢¶þ406·Ö-Çóµ÷¼Á +5 Ïô󻯹¤ 2026-04-01 5/250 2026-04-02 10:03 by jp9609
[¿¼ÑÐ] 285Çóµ÷¼Á +11 AZMK 2026-04-01 11/550 2026-04-01 22:40 by peike
[¿¼ÑÐ] 279Çóµ÷¼Á +7 Īxiao 2026-04-01 7/350 2026-04-01 22:05 by ¿Í¶ûÃÀµÂ
[¿¼ÑÐ] 340Çóµ÷¼Á +4 Ï£ÍûÈç´Ëi 2026-03-31 4/200 2026-03-31 16:40 by 690616278
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û