±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 3247  |  »Ø¸´: 14

gauss98

½û³æ (ÕýʽдÊÖ)

¡ï ¡ï
cenwanglai: ½ð±Ò+2, лл²ÎÓë~ 2012-11-22 08:49:57
±¾ÌûÄÚÈݱ»ÆÁ±Î

11Â¥2012-11-21 11:54:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

slandp

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
8Â¥: Originally posted by ZZU2011 at 2012-07-31 08:14:09
Äã¿ÉÒÔÏÈÓõͻù×éµÄPM6ÏÈÓÅ»¯Ò»Ï£¬È»ºóÔÙÉý¸ß»ù×éÓÃB3LYP·½·¨ÓÅ»¯£¬ÓÃB3LYP·½·¨ÓÅ»¯Ê±£¬CU¼ÓØÍÊÆ£¬ÕâÑùÓ¦¸ÃûÓÐÎÊÌâÁË£¬ÎÒ×ö¹ý¶þïÌúµÄ·Ö×Ó£¬¾ÍÊÇÕâÑùÓÅ»¯µÄ£¬½á¹û»¹²»´í

àÅ£¬Ð»Ð»ÄØ
12Â¥2013-03-09 16:02:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lishijunzong

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

±ðֻ˵±»µçÄԱеô£¬ÄóöÎļþ´ó¼Ò¿´¿´¡£Ê×ÏÈ˵£¬ÄãÏÈÓÃgenecp£¬¶ÔÓÚÍ­Ô­×Ó¾ÍÓÃlanl2dz£¬¶øÆäËü¾ÍÓÃ6-31g
(d,p)Õâ¸ö»ú×éûÓÐÎÊÌ⣬ÁíÍâÖÁÓÚPM6ËäÈ»¿ÉÒÔµ«¼øÓÚÎÒ×Ô¼ºÓÅ»¯µÄ³¢ÊÔ£¬ÎÒ¾õµÃÄÜÉϸ߻ù×é¾Í¸ß»ù×顣¥Ö÷¸øµÄÌåϵÓÖ²»ÊǺܴó£¬Ó¦¸ÃûÎÊÌâµÄ
13Â¥2013-03-09 22:41:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

longwen36

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

×î½üÒ²Ïë×ö½ðÊôÅäºÏÎïµÄ£¬ÍêÈ«²»ÖªµÀÔõôÈëÊÖ¡£ÇëÎÊÄãÄÜÍÆ¼öһЩÎÄÏ×»òÕß¶ÁÎïÂð£¿ÓÃʲôÈí¼þ±È½ÏºÃ£¿
ÎÒ·¢µÄÇóÖúÌû£ºhttp://muchong.com/bbs/viewthread.php?tid=5931298&fpage=1
14Â¥2013-05-23 21:00:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

longwen36

Ìú¸Ëľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
8Â¥: Originally posted by ZZU2011 at 2012-07-31 08:14:09
Äã¿ÉÒÔÏÈÓõͻù×éµÄPM6ÏÈÓÅ»¯Ò»Ï£¬È»ºóÔÙÉý¸ß»ù×éÓÃB3LYP·½·¨ÓÅ»¯£¬ÓÃB3LYP·½·¨ÓÅ»¯Ê±£¬CU¼ÓØÍÊÆ£¬ÕâÑùÓ¦¸ÃûÓÐÎÊÌâÁË£¬ÎÒ×ö¹ý¶þïÌúµÄ·Ö×Ó£¬¾ÍÊÇÕâÑùÓÅ»¯µÄ£¬½á¹û»¹²»´í

ÇóÖ¸½Ì£º
http://muchong.com/bbs/viewthread.php?tid=5931298&fpage=1
15Â¥2013-05-23 21:01:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ slandp µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 340Çóµ÷¼Á +4 jhx777 2026-03-27 4/200 2026-03-27 16:50 by sanrepian
[¿¼ÑÐ] 308Çóµ÷¼Á +6 īīĮ 2026-03-27 6/300 2026-03-27 15:20 by caszguilin
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +10 A-¶ßÀ²ZÃÎ 2026-03-23 16/800 2026-03-27 15:13 by caszguilin
[¿¼ÑÐ] 0856£¬²ÄÁÏÓ뻯¹¤321·ÖÇóµ÷¼Á +4 ´ó²öС×Ó 2026-03-27 4/200 2026-03-27 13:07 by yhmsz
[¿¼ÑÐ] 312Çóµ÷¼Á +9 Éϰ¶°ÉZJY 2026-03-22 13/650 2026-03-27 11:24 by sanrepian
[¿¼ÑÐ] Çóµ÷¼Á +6 ÁÖ֮Ϧ 2026-03-24 6/300 2026-03-27 08:38 by hypershenger
[¿¼ÑÐ] ѧ˶274Çóµ÷¼Á +3 LiÀîÓã 2026-03-26 3/150 2026-03-26 18:32 by Ìá³ö·½·¨µÄÌá³öº
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£½»´óÉúÎïÓëҽҩר˶324·Ö£¬Çóµ÷¼Á +6 jiajunX 2026-03-22 6/300 2026-03-25 23:05 by licg0208
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶0703×Ü·Ö337Çóµ÷¼Á +7 niko- 2026-03-22 7/350 2026-03-25 20:14 by qingfeng258
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤304ÇóBÇøµ÷¼Á +3 Çñgl 2026-03-25 3/150 2026-03-25 19:03 by Ainin_
[¿¼ÑÐ] 26¿¼ÑÐ-291·Ö-ÏÃÃÅ´óѧ£¨085601£©-ÈáÐÔµç×ÓѧԺ²ÄÁϹ¤³ÌרҵÇóµ÷¼Á +3 min3 2026-03-24 4/200 2026-03-25 18:22 by xcjcqu
[¿¼ÑÐ] 0854AI CV·½ÏòÕÐÊÕµ÷¼Á +4 ÕÂСÓã567 2026-03-23 4/200 2026-03-25 17:04 by CoderLoser
[¿¼ÑÐ] 0854µç×ÓÐÅÏ¢Çóµ÷¼Á +7 ¦Á____ 2026-03-22 9/450 2026-03-25 13:37 by ¦Á____
[¿¼ÑÐ] ÉϺ£µçÁ¦´óѧ²ÄÁÏ·À»¤ÓëвÄÁÏÖØµãʵÑéÊÒÕÐÊÕµ÷¼ÁÑо¿Éú£¨²ÄÁÏ¡¢»¯Ñ§¡¢µç»¯Ñ§£¬»·¾³£© +4 ÎÒ°®Ñ§µç³Ø 2026-03-23 4/200 2026-03-25 00:59 by 1027_324
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼ÁÉú +3 »ÆÁ»Ò»ÃÎǧÄê 2026-03-24 3/150 2026-03-24 17:00 by barlinike
[¿¼ÑÐ] 341Çóµ÷¼Á(Ò»Ö¾Ô¸ºþÄÏ´óѧ070300) +5 ·¬ÇÑÍ·--- 2026-03-22 6/300 2026-03-23 23:45 by Txy@872106
[¿¼ÑÐ] 384Çóµ÷¼Á +3 ×Óϵ²© 2026-03-22 6/300 2026-03-23 21:45 by ×Óϵ²©
[¿¼ÑÐ] Ò»Ö¾Ô¸Éî´ó£¬0703»¯Ñ§£¬×Ü·Ö302£¬Çóµ÷¼Á +4 ÆßÔÂ-ÆßÆß 2026-03-21 4/200 2026-03-21 18:20 by ѧԱ8dgXkO
[¿¼ÑÐ] ²ÄÁÏ 271Çóµ÷¼Á +5 Õ¹ÐÅÔÃ_ 2026-03-21 5/250 2026-03-21 17:29 by ѧԱ8dgXkO
[¿¼ÑÐ] 330Çóµ÷¼Á0854 +3 assdll 2026-03-21 3/150 2026-03-21 13:01 by ²«»÷518
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û