Znn3bq.jpeg
²é¿´: 500  |  »Ø¸´: 10
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß handongxue1011 µÄ 1 ¸ö½ð±Ò

handongxue1011

Òø³æ (ÕýʽдÊÖ)

[½»Á÷] £ÛÇóÖú£Ý´ó¼Ò¿´¿´ÎҵijÌÐòÄÄ´íÁËѽ

%chk=12-34ts.chk
%mem=800mb
%nproc=2
# opt=(calcfc,ts) ub3lyp geom=connectivity gen pseudo=read

12-34guessTS

0 1
×ø±ê

C H 0
6-31g
****
Pd Sn P 0
lanl2dz
****

Pd Sn P 0
lanl2dz

[ Last edited by handongxue1011 on 2008-11-5 at 08:44 ]
»Ø¸´´ËÂ¥
¿Þ·ÇÈËÉú,Ц·ÇÈËÉú,¿ÞЦ²»µÃÄËÈËÉú!
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ps122

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

ÕâÊÇʲôÓïÑÔ£¿ÎÒզû¿´¶®ÄØ
2Â¥2008-10-29 13:42:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

nxf_2008

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï
handongxue1011(½ð±Ò+1,VIP+0):ллÄã!
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
Ó¦¸ÃÊÇrb3lyp,ÄãµÄ¶àÖØ¶ÈÊÇ1°¡
Ìì¸ßÈÎÄñ·É£¬º£À«Æ¾ÓãÔ¾£¡
3Â¥2008-10-29 16:06:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wonderflyer

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
handongxue1011(½ð±Ò+2,VIP+0):ллÄã!ÎÒµÄ×ø±êûÓÐʲôÎÊÌâ!¿ÉÄÜÊÇÎÒÑ¡ÔñÁË»ìºÏ»ù×é,ËùÒԾͲ»ÄÜÑ¡·ÇÏÞÖÆÁË
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
ÎÒ°ÑÄãÌṩµÄÊäÈëÎļþÔÚÎÒµÄGAUSSÖÐËãÁËһϣ¬Ã»³öÎÊÌâ¡£
Ψһ²»È·¶¨µÄÊÇÄãµÄ×ø±êÊäÈ룬ÒòΪÄãûÌṩ¡£ÎÒ²ÉÓÃÁ˵ѿ¨¶û×ø±ê¡£Èç¹ûÄãµÄ×ø±ê²»ÊÇGAUSSVIEWÉú³ÉµÄ£¬¾ÍÈ¥µôGEOM¹Ø¼ü×Ö¡£
4Â¥2008-10-29 16:12:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yuan888

Í­³æ (СÓÐÃûÆø)

¡ï ¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
handongxue1011(½ð±Ò+1,VIP+0):¸ÐлÄãÏêϸµÄ½âÊÍ,ÎÒÊÔÊÔ¿´.
5Â¥ºÍ6¥˵µÄ²»¶Ô
¶àÖØ¶ÈÊÇ1  rb3lyp  ºÍub3lypÊÇÒ»ÑùµÄ
5Â¥2008-10-30 09:01:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

itcjluzy

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï ¡ï ¡ï
zzgyb(½ð±Ò+2,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­ÔٴιâÁÙ¼ÆËãÄ£Äâ°æ£¡
handongxue1011(½ð±Ò+2,VIP+0):¸ÐлÄãÏêϸµÄ½âÊÍ,ÎÒÊÔÊÔ¿´.
Äã×öµÄÊDZտDzãµÄ,×ÔÐý¶àÖØ¶ÈÊÇ1,Ó¦¸ÃÑ¡ÓÃÏÞÖÆÐÔ·½·¨,²»Ó¦¸ÃÓ÷ÇÏÞÖÆÐÔ·½·¨°¡.°ÑuÈ¥µô,ÔÙµ÷ÊÔ.ÁíÍâ,¼Ç¼ÊÇÔÚÄĸölinkÍ£µÄ,²éÒ»ÏÂÁÖÃκ£µÄÊé»òÕ߸ß˹µÄÖ¸ÄÏ.
6Â¥2008-10-30 09:25:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

quantum999

½ð³æ (ÖøÃûдÊÖ)

°ÑÊäÈëÈ«Ìù³öÀ´£¬´ó¼ÒºÃÅжÏÄÄÀïÓдí
7Â¥2008-10-30 10:15:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

handongxue1011

Òø³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by quantum999 at 2008-10-30 10:15:
°ÑÊäÈëÈ«Ìù³öÀ´£¬´ó¼ÒºÃÅжÏÄÄÀïÓдí

ÎÒµÄÊäÈëÎļþÒѾ­¶¼Ìù³öÀ´ÁËѽ.×ø±êÌ«³¤,¾ÍÊDZê×¼µÄµÑ¿¨¶û×ø±ê.ËùÒÔûÓзÅÉÏÈ¥¡£
¿Þ·ÇÈËÉú,Ц·ÇÈËÉú,¿ÞЦ²»µÃÄËÈËÉú!
8Â¥2008-10-30 19:12:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ handongxue1011 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 268·Ö085602»¯Ñ§¹¤³Ìµ÷¼Á +21 ÔÂÕÕ»¨ÁÖ¡£ 2026-04-09 21/1050 2026-04-09 23:16 by parmtree
[¿¼ÑÐ] 298Çóµ÷¼Á +3 ¶¤¶£ß˶¬¹Ï 2026-04-09 3/150 2026-04-09 23:14 by ditto77778
[¿¼ÑÐ] 288Çóµ÷¼Á£¬Ò»Ö¾Ô¸»ªÄÏÀí¹¤´óѧ071005 +16 ioodiiij 2026-04-08 16/800 2026-04-09 23:08 by wolf97
[¿¼²©] ²©Ê¿×Ô¼ö +5 ¿É¿ÉСÅÖ 2026-04-08 5/250 2026-04-09 20:51 by leapmouse
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +28 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 28/1400 2026-04-09 20:08 by µ¹Êý321?
[¿¼ÑÐ] 284Çóµ÷¼Á +8 ÈÃÎÒÉϰ¶°É°¢Î÷ 2026-04-09 10/500 2026-04-09 18:34 by ¶ÎΰÑÞ
[¿¼ÑÐ] 314Çóµ÷¼Á +20 wakeluofu 2026-04-09 21/1050 2026-04-09 16:14 by zhuimr
[¿¼ÑÐ] 085501»úеר˶ 302·Ö ²»ÌôרҵÇóµ÷¼Á +5 Íôij. 2026-04-09 5/250 2026-04-09 15:38 by ½¯ð©Óí
[¿¼ÑÐ] 086004 Çóµ÷¼Á 309 +7 Yin DY 2026-04-08 7/350 2026-04-09 13:59 by Delta2012
[¿¼ÑÐ] »¯Ñ§308·ÖÇóµ÷¼Á +21 ÄãºÃÃ÷ÌìÄãºÃ 2026-04-07 23/1150 2026-04-08 22:32 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] 302·ÖÇóµ÷¼Á +4 ·²ÓïÆíÔ¸ 2026-04-08 5/250 2026-04-08 22:03 by ÍÁľ˶ʿÕÐÉú
[¿¼²©] É격 +8 IQwQl 2026-04-04 8/400 2026-04-08 09:43 by 0608104024
[¿¼ÑÐ] Çóµ÷¼Á +15 ÐܶþÏëÉϰ¶ 2026-04-06 15/750 2026-04-08 04:53 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¹¤¿Æ 22408 267ÇóÍÆ¼ö +4 wanwan00 2026-04-05 5/250 2026-04-06 22:47 by chenzhimin
[¿¼ÑÐ] 285Çóµ÷¼Á +5 mapmath 2026-04-06 6/300 2026-04-06 17:18 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸ ½­ÄÏ´óѧ 085602 »¯¹¤×¨Ë¶ 338·ÖÇóµ÷¼Á +15 ·³ÕСç÷ 2026-04-05 15/750 2026-04-06 09:27 by cql1109
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷±±Å©ÁÖÐóÄÁר˶336·ÖÇóµ÷¼Á +3 5ourr 2026-04-03 3/150 2026-04-05 10:40 by JOKER0401
[¿¼ÑÐ] 353Çóµ÷¼Á +10 MayUxw1 2026-04-03 10/500 2026-04-05 09:23 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 11408,335·Ö£¬±¾¿Æ211£¬Çóµ÷¼Á£¬¿Éתרҵ +5 öùÀæ´óöùÓã 2026-04-03 5/250 2026-04-04 22:49 by chongya
[¿¼ÑÐ] ÔõôɾÌû×Ó°¡ +3 ·ìêØ1000 2026-04-04 3/150 2026-04-04 14:20 by ÍÁľ˶ʿÕÐÉú
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û