Znn3bq.jpeg
²é¿´: 514  |  »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
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

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¥

» ²ÂÄãϲ»¶

¿Þ·ÇÈËÉú,Ц·ÇÈËÉú,¿ÞЦ²»µÃÄËÈËÉú!
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
²é¿´È«²¿ 11 ¸ö»Ø´ð

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
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ±¾ÈËÅ®º¢ +8 ºðºð£¬ 2026-04-10 10/500 2026-04-17 11:28 by 4444si
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó²ÄÁÏÓ뻯¹¤£¬353·Ö»¹Óе÷¼ÁѧУÂð +9 ·ñ¼«Ì©À´2026 2026-04-15 11/550 2026-04-17 11:08 by liuzhexuan12
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũҵ071010£¬320Çóµ÷¼Á +15 À§À§À§À§À¤À¤ 2026-04-14 17/850 2026-04-17 09:32 by licg0208
[¿¼ÑÐ] 291Çóµ÷¼Á +9 ¹ØÒä±±. 2026-04-14 9/450 2026-04-16 22:49 by cfdbai
[¿¼ÑÐ] »¯Ñ§070300 Çóµ÷¼Á +28 ¹þ¹þ¹þ^_^ 2026-04-12 28/1400 2026-04-16 21:36 by ´óÁ¦Ë®ÊÖÁ¦´óÎÞÇ
[¿¼ÑÐ] 291Çóµ÷¼Á +11 ¹ØÒä±±. 2026-04-14 11/550 2026-04-16 15:18 by jiahl2024
[»ù½ðÉêÇë] RY£ºÖйú²ú³öµÄ¿ÆÑ§À¬»øÂÛÎÄ£¬¾ø¶ÔÊýÁ¿ºÍ±ÈÀý¶¼ÊÀ½çµÚÒ» +7 zju2000 2026-04-14 18/900 2026-04-16 11:36 by »¶ÀÖËÌÒ¶Ýè
[¿¼ÑÐ] ҩѧÇóµ÷¼Á +14 à¶¹þ¼ÓÓÍ 2026-04-14 16/800 2026-04-16 10:15 by beilsong20
[¿¼ÑÐ] ²ÄÁϹ¤³Ì281»¹Óе÷¼Á»ú»áÂð +43 xaw. 2026-04-11 44/2200 2026-04-15 12:46 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] ¸÷λÀÏʦºÃ£¬Çóµ÷¼Á£¬±¾¿Æ211£¬Ò»Ö¾Ô¸Ìì½ò´óѧÉúÎïÓëҽҩѧ˶£¬²îÁ½Ãû¼ȡ¡£ +11 ·ÁùÁùjjj 2026-04-13 11/550 2026-04-14 16:01 by zs92450
[¿¼ÑÐ] ҩѧ305Çóµ÷¼Á +10 Â꿨°Í¿¨boom 2026-04-10 10/500 2026-04-14 15:55 by zs92450
[½Ìʦ֮¼Ò] ת³¤Æ¸ÁË +7 ¼òµ¥»¯xn 2026-04-13 7/350 2026-04-14 14:50 by xindong
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤349·ÖÇóµ÷¼Á +16 Àîľ×Ó°¡¹þ¹þ 2026-04-12 17/850 2026-04-14 09:11 by fenglj492
[¿¼ÑÐ] 300·ÖÇóµ÷¼Á £¨085501»úеר˶£¬±¾¿ÆÑï´ó£© +9 xu@841019 2026-04-11 10/500 2026-04-14 08:48 by ľľmumu¡«
[¿¼ÑÐ] 344 ²ÄÁÏרҵ Çóµ÷¼Á211 ÎÞµØÓòÒªÇó +8 hualkop 2026-04-11 8/400 2026-04-12 22:24 by fqwang
[¿¼ÑÐ] 339Çóµ÷¼Á +8 hanwudada 2026-04-11 9/450 2026-04-12 15:36 by laoshidan
[¿¼ÑÐ] 283Çóµ÷¼Á 086004¿¼Ó¢¶þÊý¶þ +17 ÄǸöàà×Ó 2026-04-10 18/900 2026-04-11 16:27 by Ã÷Ô´ËʱÓÐ
[¿¼ÑÐ] µ÷¼Á +5 ÎĵÀÐÇ̨ 2026-04-11 5/250 2026-04-11 15:01 by ¿­¿­Òª±ä˧
[¿¼ÑÐ] 0854µ÷¼Á +5 ÒôÏñµêÌý»¨¹ÄÏ· 2026-04-10 5/250 2026-04-11 10:49 by qingpingzhu
[¿¼ÑÐ] ³õÊÔ261 +3 AshtÉÙ 2026-04-10 6/300 2026-04-10 16:38 by AshtÉÙ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û