Znn3bq.jpeg
²é¿´: 6880  |  »Ø¸´: 32

liuhuisfp

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÀÏ°å¸øÁ˸ö¿ÎÌâÒ²Á¿Ñо¿H-bond£¬¶à¶à½»Á÷°¡
21Â¥2011-03-18 19:14:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

amytaotao

гæ (³õÈëÎÄ̳)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
ÄÇôÇë½ÌÒ»¸öÎÊÌ⣬¿É²»¿ÉÒÔÓÃB3LYPÓÅ»¯µÃµ½½á¹¹£¬È»ºóÓÃMP2À´·ÖÎöÇâ¼üÄØ£¿
22Â¥2011-03-19 14:29:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ãéãéС¹Ö

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Çë½ÌÂ¥Ö÷£¬AIMÄܲ»ÄÜËã½ðÊôÔ­×ÓÓëÆäËûÔ­×Ó¼äµÄ×÷ÓÃÁ¦°¡£¿Ð»Ð»
23Â¥2011-05-23 18:06:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

luolun2008

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Çë½ÌÂ¥Ö÷£¬ÕâÖÖ·½·¨¼ÆËãµÄ½á¹ûÄܶÁ³ökinetic energy density ºÍ potential energy density Âð£¿
³¾°£Â䶨֮ǰ£¬Ò»ÇнÔÓпÉÄÜ£¡£¡£¡
24Â¥2011-08-25 10:41:14
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yoghurt117

ľ³æ (ÕýʽдÊÖ)

ËÍÏÊ»¨Ò»¶ä
ºÃÌû×ÓÒª¶¥
I am ·ÏMan! °ÑÎÕסÿһ¿Ì²ÅÊÇ×îÖØÒªµÄ£¡
25Â¥2012-01-26 11:12:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ĮС±±±±

Ìú³æ (³õÈëÎÄ̳)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÇóÖúÂÛÎÄ£ºP. L. A Popelier, J. Phys. Chem. A, 1998, 102, 1873
лл´ó¼Ò°¡
26Â¥2013-04-07 17:11:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÑÔСÇÇ

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Â¥Ö÷£¬ÎÒÏëÎÊһϣ¬ÎÒÒªËãAIM£¬Ö®Ç°Óõ½ÁËÙžÊÆ£¬Âé·³Äã°ïÎÒ¿´Ò»ÏÂÃüÁîÕâÑù¸Ä¿É²»¿ÉÒÔ£¬Ðв»£¿
%chk=2c.chk
%mem=2gb
%nproc=4
# b3lyp/gen pseudo=read gfinput scfcyc=300 opt freq AIM=ALL
лл£¬·Ç³£¸Ðл£¡
27Â¥2013-05-30 15:51:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÑÔСÇÇ

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
22Â¥: Originally posted by amytaotao at 2011-03-19 14:29:01
ÄÇôÇë½ÌÒ»¸öÎÊÌ⣬¿É²»¿ÉÒÔÓÃB3LYPÓÅ»¯µÃµ½½á¹¹£¬È»ºóÓÃMP2À´·ÖÎöÇâ¼üÄØ£¿

ÎÒÒ²ÏëÖªµÀÕâ¸öÎÊÌâ¡£¡£¡£
28Â¥2013-05-30 16:02:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jianghuaiyu

Í­³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
28Â¥: Originally posted by ÑÔСÇÇ at 2013-05-30 16:02:25
ÎÒÒ²ÏëÖªµÀÕâ¸öÎÊÌâ¡£¡£¡£...

B3LYP¸ø²»³ö¿ÉÐŵĽṹ£¬·Ö×ÓСÓÃMP2Ë㣬·Ö×Ó´óÓÃwb97xd»òÕßm062x¶¼¿ÉÒÔ£¬ºóÕß¿ÉÄܲ»ÊÕÁ²
come on
29Â¥2014-09-23 16:13:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÖÜÉÙÔ¨

Òø³æ (³õÈëÎÄ̳)

·Ç³£ºÃ£¡
30Â¥2014-10-06 11:45:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ mengfc µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ±¾ÈËÅ®º¢ +5 ºðºð£¬ 2026-04-10 6/300 2026-04-11 00:09 by ÈÎÎÄÁÁ
[¿¼ÑÐ] 342µç×ÓÐÅϢר˶Çóµ÷¼Á +8 ÄãÈÃÎÒÔõôÀóÖ¦ 2026-04-10 9/450 2026-04-10 21:46 by fxue1114
[¿¼ÑÐ] Çóµ÷¼Á288 +6 ioodiiij 2026-04-10 8/400 2026-04-10 21:07 by zhouxiaoyu
[¿¼ÑÐ] Ò»Ö¾Ô¸¿ó´ó£¬²ÄÁϹ¤³Ìר˶314·Ö£¬0856¿Éµ÷¶¼¿ÉÒÔ +15 ÎÞи¿É»÷µÄ¾ÞÈË 2026-04-09 15/750 2026-04-10 18:10 by hmn_wj
[¿¼ÑÐ] 22408µ÷¼ÁÇóÖú +5 ì±12 2026-04-09 7/350 2026-04-10 16:32 by ¸ßά´º
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«±±´óѧ¿ØÖƹ¤³Ì085406Êý¶þÓ¢¶þ385£¬Çóµ÷¼Á +6 Ezra_Zhang 2026-04-09 6/300 2026-04-10 16:23 by ¸ßά´º
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Ê¦·¶ÉúÎïѧ326·Ö£¬Çóµ÷¼Á +8 Áõīī 2026-04-09 8/400 2026-04-10 12:00 by pengliang8036
[¿¼ÑÐ] ²ÄÁÏר˶(0856) 339·ÖÇóµ÷¼Á +11 ¹þ¹þ¹þ¶ì¹þ¹þ¹þ 2026-04-04 11/550 2026-04-10 09:37 by 690616278
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©µ÷¼Á +5 Ê®Æßsa 2026-04-05 5/250 2026-04-10 08:14 by kangsm
[¿¼ÑÐ] Ò»Ö¾Ô¸085502£¬267·ÖÇóµ÷¼Á +10 ÔÙæҲҪ³Ô·¹°¡ 2026-04-08 11/550 2026-04-09 19:51 by gong120082
[¿¼ÑÐ] 274Çóµ÷¼Á +5 ɽ°¢Âû 2026-04-07 5/250 2026-04-09 15:28 by 18828373951
[˶²©¼ÒÔ°] ÐÂÒ»´úµç×ÓÐÅÏ¢294Çóµ÷¼Á ²»ÌôѧУ +5 Ytyt11 2026-04-09 6/300 2026-04-09 14:40 by Ytyt11
[¿¼ÑÐ] 286Çóµ÷¼Á +19 Faune 2026-04-08 20/1000 2026-04-09 08:36 by ŶŶ123
[¿¼ÑÐ] ÉúÎïѧ328·ÖÇóµ÷¼Á +9 ÉÁµçkkl 2026-04-08 10/500 2026-04-08 21:42 by liuhuiying09
[¿¼ÑÐ] 288»·¾³×¨Ë¶,Çóµ÷²ÄÁÏ·½Ïò +35 lllllos 2026-04-04 39/1950 2026-04-07 23:24 by Ò»Ö»ºÃ¹û×Ó?
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖÐũҵ´óѧ0710£¨A£©³õÊÔ329·Ö Çóµ÷¼Á +5 Ò»Ãû26¿¼ÑÐÉú 2026-04-04 5/250 2026-04-07 08:54 by 18828373951
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +5 СÁõͬѧ߹߹ 2026-04-06 5/250 2026-04-06 18:34 by sherry_1901
[¿¼ÑÐ] Çóµ÷¼Áµ½0856²ÄÁϹ¤³Ì +3 ³Ì9915 2026-04-05 3/150 2026-04-05 18:15 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] 298Çóµ÷¼Á +7 manman511 2026-04-05 7/350 2026-04-05 10:29 by ÌÆãå¶ù
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û