±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1449  |  »Ø¸´: 2

meijiajing

½ð³æ (ÕýʽдÊÖ)


[½»Á÷] ¡¾ÇóÖú¡¿NWChemºÍGaussian 09µÄM062X¼ÆËãͬһ½á¹¹£¬¼ÆËã½á¹ûÓÐÇø±ðÂð£¿

´ó¼ÒºÃ
ÇëÎÊͬһ¸ö½á¹¹£¬¶¼ÓÃM062X/6-31g*ÓÅ»¯¼ÆË㣬·Ö±ðÓÃNWChemµÄºÍGaussian 09Á½¸öÈí¼þ£¬¼ÆËã½á¹û£¨¼ü³¤¼ü½Ç¼°ÄÜÁ¿£©ÓÐÇø±ðÂð£¿
ÎÒÓùýGaussian£¬µ«Ã»ÓÐÓùýNWChem£¬¿ÒÇë´ó¼Ò°ïæ
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

boylc789

ľ³æ (ÖøÃûдÊÖ)


meijiajing(½ð±Ò+5): лл 2011-03-14 08:36:54
Ó¦¸ÃÇø±ð²»´ó£¬Ö÷Òª¿´»ý·Ö¸ñµã°É
2Â¥2011-03-13 13:54:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

suntao1982

ľ³æ (ÖøÃûдÊÖ)


¡ï ¡ï
cenwanglai(½ð±Ò+2): лл»Ø¸´£¬ºÇºÇ 2011-03-14 22:05:57
meijiajing(½ð±Ò+5): лл½â´ð 2011-03-15 09:55:56
Á¿×Ó»¯Ñ§ÖØÒªµÄÊÇ·½·¨µÄÑ¡Ôñ¶ø²»ÔÚÈí¼þ¡£ÀíÂÛÉϽá¹ûÓ¦¸ÃÊÇÒ»ÑùµÄ£¬µ«½á¹û³£³£²»Ò»Ö£¬Ô­ÒòÓÐÒÔϼ¸·½Ã棺1£¬ÊÕÁ²¾«¶È2ÓÅ»¯Ëã·¨3»ùº¯Êý¿Ç²ãµÄÑ¡Ôñ4£¬Â¥ÉÏ˵µÄ¸ñµãÑ¡ÔñµÈÔ­Òò¡£Èç¹û±£Ö¤ÒÔÉ϶¼ÊÇÏàͬµÄ£¬½á¹ûÓ¦¸ÃÒ»Ö¡£
3Â¥2011-03-14 21:54:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ meijiajing µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085410È˹¤ÖÇÄÜ ³õÊÔ316·Ö Çóµ÷¼Á +6 ²ÐÐÇ·÷Êï 2026-03-31 6/300 2026-04-05 12:15 by rainbow11
[¿¼ÑÐ] 318Çóµ÷¼Á +11 ykyhsa 2026-04-05 12/600 2026-04-05 12:01 by jndximd
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +11 Ò»ÑùYWY 2026-04-02 13/650 2026-04-04 23:10 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 085600µ÷¼Á +4 1amJJ 2026-04-02 4/200 2026-04-04 21:53 by hemengdong
[¿¼ÑÐ] 283·ÖÇóµ÷¼Á +7 СÄô°®Ñ§Ï° 2026-04-03 7/350 2026-04-04 21:51 by hemengdong
[¿¼ÑÐ] 283Çóµ÷¼Á +4 mcbbc 2026-04-03 5/250 2026-04-04 20:51 by imissbao
[¿¼ÑÐ] 0703Çóµ÷¼Á383·Ö +8 W55j 2026-04-03 8/400 2026-04-04 20:09 by xhai2011
[¿¼ÑÐ] µ÷¼Á +4 ÊÇ¿ÉÀÖ²»ÊÇ¿ÉÀÖ 2026-04-04 4/200 2026-04-04 19:41 by ÌÆãå¶ù
[¿¼ÑÐ] 325Çóµ÷¼Á +4 ´º·ç²»½èÒâ 2026-04-04 4/200 2026-04-04 14:46 by ÏæÅ©´¢ÄܲÄÁÏ
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 ľÐÄÏë¼ÌÐøÉîÔì 2026-04-03 3/150 2026-04-03 21:56 by à£à£à£0119
[¿¼ÑÐ] Êý¶þÓ¢¶þ348Çóµ÷¼Á +4 hxdzj1 2026-04-03 5/250 2026-04-03 21:25 by zhq0425
[¿¼ÑÐ] 0856£¬269·ÖÇóµ÷¼Á +15 ÓÐѧÉϾÍÐÐÇóÇóÁ 2026-03-30 18/900 2026-04-03 16:50 by melodiousnow
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +6 ÏàÐűػá¹ââÍòÕ 2026-03-31 7/350 2026-04-02 23:16 by JourneyLucky
[ÂÛÎÄͶ¸å] chinese chemical lettersÓ¢ÎİæÍ¶¸åÇóÖú 120+4 Yishengeryi 2026-03-30 6/300 2026-04-02 17:19 by Yishengeryi
[¿¼ÑÐ] 314Çóµ÷¼Á +11 1xiaojun23 2026-03-31 12/600 2026-04-02 12:31 by 1xiaojun23
[¿¼ÑÐ] 311Çóµ÷¼Á +14 À¶ÔÂÁÁÁÁ 2026-03-30 14/700 2026-04-02 12:18 by 1753564080
[¿¼ÑÐ] 285Çóµ÷¼Á +11 AZMK 2026-04-01 11/550 2026-04-01 22:40 by peike
[¿¼ÑÐ] 290Çóµ÷¼Á +5 dfffsar 2026-03-29 5/250 2026-04-01 19:45 by 6781022
[¿¼ÑÐ] 254²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +3 º²¶¬ÁÖéª 2026-03-30 4/200 2026-03-31 17:53 by yishunmin
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷µç085401ÊýÒ»Ó¢Ò»299Çóµ÷¼Á Áù¼¶521 +4 °®³Ô´óѼÀæ 2026-03-31 4/200 2026-03-31 11:51 by ²«»÷518
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û