Znn3bq.jpeg
²é¿´: 814  |  »Ø¸´: 6
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

ÀÖÀÖ9138

Òø³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿ÇëÎʸß˹¼ÆËãµÄ»ù±¾²½ÖèÊÇʲô

¸÷λǰ±²£¬ÄãÃǺ㬵¼Ê¦´òËãÈÃÎÒÓøß˹Ñо¿Ò»¸öÓлú·´Ó¦µÄ·´Ó¦»úÀí£¬ÇëÎʸß˹¼ÆËãµÄ»ù±¾²½ÖèÊÇʲô£¿Ð»Ð»

[ Last edited by gromacs on 2008-9-16 at 10:48 ]
»Ø¸´´ËÂ¥
²©Ñ§óÆÖ¾£¬¸ñÎïÃ÷µÂ
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wgpig

ľ³æ (СÓÐÃûÆø)

ʲô¶¼²»ÖªµÀµÄ»°£¬ÏÈ¿´¿´gaussianµÄÄÇÁ½±¾Êé¡£»òÕßËÑË÷±¾°æ¡£
2Â¥2008-09-15 16:22:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhmj

ľ³æ (СÓÐÃûÆø)

¡ï ¡ï
jghe(½ð±Ò+2,VIP+0):лл²ÎÓëÌÖÂÛ£¡
ÏȶԷ´Ó¦ÎïºÍ²úÎï½øÐÐÓÅ»¯opt
´Ó²úÎïÓÃts»òÕßqst2»òqst3µÄ·½·¨ÕÒ¹ý¶É̬
ÕÒµ½¹ý¶É̬ºó£¬ÓÃircµÄ·½·¨ÕÒÖмäÌ壬
ÔÙ´ÓÖмäÌå³ö·¢ÕÒÏÂÒ»¸ö¹ý¶É̬
3Â¥2008-09-15 19:51:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ljfyf

Í­³æ (СÓÐÃûÆø)

¡ï ¡ï
gromacs(½ð±Ò+2,VIP+0):¸Ðл½¨Òé
½¨ÒéÏÈÓÃС»ú×é×ö£¬Èç3-21G£¬¶ÔËùÓй¹ÐͽøÐÐÓÅ»¯ºó£¬ÔÙ°ÑÓÅ»¯ºÃµÄ¹¹ÐÍÓôóÒ»µãµÄ»ú×é½øÐиüΪ¾«È·µÄ¼ÆË㣬Èç6-31+G*¡¢6-311++G**µÈ¡£ÕâÑù¿ÉÒÔ½Úʡһ¶¨µÄʱ¼ä£¬¸üÈÝÒ×½â¾öÎÊÌâ¡£
4Â¥2008-09-16 09:54:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

spkeey

½ð³æ (ÕýʽдÊÖ)

¡ï
gromacs(½ð±Ò+1,VIP+0):»¶Ó­½»Á÷
Äã¿ÉÒÔÏÂÔØ£º
1 gauss µÄ˵Ã÷Êé
2 exploring chemistry with electronic structure method
SPKEEY
5Â¥2008-09-16 11:23:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

cysqxr

ľ³æ (СÓÐÃûÆø)

¡ï ¡ï
gromacs(½ð±Ò+2,VIP+0):»¶Ó­½»Á÷
ÄãÊ×ÏÈÊÇÓÃ×÷ͼÈí¼þ×÷³ö·´Ó¦Îï²úÎȻºó°´Õմӵ͵½¸ßµÄ²»Í¬»ù×é ²»Í¬·½·¨½øÐÐÓÅ»¯ ¹Ø¼ü×ÖÊÇopt  ¾ßÌåµÄ²Î¿´¸ß˹ÊÖ²á
ÓÅ»¯ºÃºó¾ÍÊÇѰÕÒ¹ý¶É̬ ts  ÔõôÕÒ ¿´ÊÖ²á ÕÒµ½ºóÒª×öÑéÖ¤ ÊDz»Êǹý¶É̬ È»ºó×ö¸öirc ´óÌåµÄ²½Öè¾ÍÊÇÕâЩÁË  
Ö÷ÒªÊǸù¾ÝÕâЩ¹Ø¼ü×Ö ºÃºÃ¿´¿´ÊÖ²á
6Â¥2008-09-16 15:16:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÀÖÀÖ9138

Òø³æ (ÕýʽдÊÖ)

¶÷£¬Ð»Ð»¸÷λָµ¼¡£¼ÓÓÍing
²©Ñ§óÆÖ¾£¬¸ñÎïÃ÷µÂ
7Â¥2008-09-17 09:31:04
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ÀÖÀÖ9138 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤£¬Çóµ÷¼Á +7 won_qii 2026-04-07 7/350 2026-04-09 09:05 by ±£±¼³¬°®Ñ§Ï°
[¿¼ÑÐ] 293µ÷¼Á +21 yj1221 2026-04-08 22/1100 2026-04-09 08:34 by 5268321
[¿¼ÑÐ] 277Çóµ÷¼Á +16 Äß½¨Éè 2026-04-06 16/800 2026-04-08 21:28 by zhouxiaoyu
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á325·Ö +13 15771691647 2026-04-04 14/700 2026-04-08 10:28 by screening
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ²ÄÁÏÓ뻯¹¤085600£¬Çóµ÷¼Á +34 ³ÔµÄ²»ÉÙ 2026-04-02 34/1700 2026-04-07 20:01 by lrll?l
[¿¼ÑÐ] 081200-11408-367ѧ˶Çóµ÷¼Á +4 1_2_3111 2026-04-06 4/200 2026-04-07 08:13 by jp9609
[¿¼ÑÐ] ¿¼Ñе÷¼Á +7 15615482637 2026-04-04 7/350 2026-04-06 22:56 by chenzhimin
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤363ÇóÍÆ¼ö +11 zh096 2026-04-04 11/550 2026-04-06 19:14 by guanxin1001
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-05 4/200 2026-04-06 12:29 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] 348Çóµ÷¼Á +3 ³µÀå×Ózzz 2026-04-05 3/150 2026-04-05 20:30 by à£à£à£0119
[¿¼ÑÐ] 327Çóµ÷¼Á +4 ʰ¹âÈÎȾ 2026-04-05 4/200 2026-04-05 20:16 by ÄϺ½~ÍòÀÏʦ
[¿¼ÑÐ] 315Çóµ÷¼Á +5 £¦123456789 2026-04-05 5/250 2026-04-05 19:55 by nepu_uu
[¿¼ÑÐ] Ò»Ö¾Ô¸9²ÄÁÏѧ˶297ÒѹýÁù¼¶Çóµ÷¼ÁÍÆ¼ö +11 adaie 2026-04-04 12/600 2026-04-05 19:04 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ¹¤¿ÆÇóµ÷¼Á +15 11ggg 2026-04-03 15/750 2026-04-05 16:24 by zzx2138
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤306·ÖÕÒµ÷¼Á +12 ²×º£ÇáÖÛe 2026-04-03 13/650 2026-04-04 23:45 by lqwchd
[¿¼ÑÐ] 321Çóµ÷¼Á +13 ÈÏÕæÇóÉÏѧ 2026-04-02 13/650 2026-04-04 18:23 by macy2011
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +11 ÎâèùÓ±£¡ 2026-04-03 11/550 2026-04-04 09:56 by ССÊ÷2024
[¿¼ÑÐ] 315·Ö 085602 Çóµ÷¼Á +15 26¿¼ÑÐÉϰ¶°æ26 2026-04-02 15/750 2026-04-03 12:45 by xingguangj
[¿¼ÑÐ] 260Çóµ÷¼Á +6 ÖìÜÆÁÕ 2026-04-02 6/300 2026-04-02 20:27 by 6781022
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +3 masss11222 2026-04-02 3/150 2026-04-02 18:11 by ±ÊÂä½õÖÝ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û