Znn3bq.jpeg
²é¿´: 1080  |  »Ø¸´: 6
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

zeminwu32

гæ (³õÈëÎÄ̳)

[½»Á÷] 2016ÄêHNU¼ÆË㻯ѧѵÁ·°à±¨ÃûÀ² ÒÑÓÐ5È˲ÎÓë

2016HNU¼ÆË㻯ѧѵÁ·°à±¨ÃûÀ²£¡£¡£¡

ÁõÊö±ó½ÌÊÚ½«ÔÚºþÄÏʦ·¶´óѧ¿ªÉèΪÆÚÎåÌìµÄ¸ß¼¶¼ÆË㻯ѧ¿Î³Ì£¬´Ë¿Î³ÌÃæÏò¸ßÄê¼¶±¾¿ÆÉú¡¢Ñо¿ÉúÒÔ¼°ÆäËûÓÐÐËȤµÄÏà¹ØÈËÔ±¡£ÁõÀÏʦһֱ´ÓÊÂÀíÂÛ»¯Ñ§ºÍ¼ÆË㻯ѧ½Ìѧ¡¢¿ÆÑй¤×÷¡£¿Î³Ì²ÉÓý²ÊÚÓëÉÏ»ú²Ù×÷ͬ²½½øÐеķ½Ê½£¬½éÉÜͨÓÃGaussianÈí¼þ¼°Æä¿ÉÊÓ»¯½çÃæGaussView³ÌÐò£¬ÈÃÿһλѧϰÕßÌåÑéÓüÆË㻯ѧ·½·¨½â¾ö¾ßÌåÎÊÌâµÄÀÖȤ£¬²¢ÓÃÀ´½â¾öÏà¹ØÁìÓòµÄʵ¼Ê»¯Ñ§ÎÊÌâ¡£
      ±¾´ÎÅàѵ½«ÏµÍ³½éÉÜÏÖ´ú¼ÆË㻯ѧÖеĸ÷ÖÖ³ÉÊì·½·¨£¬Èç´ÓÍ·¼ÆËã(ab initio)£¬Ãܶȷºº¯ÀíÂÛ(DFT)£¬·´Ó¦»îÐÔÀíÂÛ(DFRT)£¬·Ö×Ó¶¯Á¦Ñ§(MD)£¬Á¿×ÓÁ¦Ñ§/·Ö×ÓÁ¦Ñ§Ïà½áºÏµÄ·½·¨(QM/MM)µÈ¡£Í¬Ê±½«½éÉܸ÷ÖÖÆ×ͼµÄ¼ÆËã(ºìÍ⣬À­Âü£¬ºË´Å£¬×ÏÍâ/¿É¼û¡¢Ó«¹â)Óë¹éÊô£¬»¯Ñ§³É¼ü·ÖÎö(NBO)£¬·´Ó¦¹ý¶É̬(TST)Ä£Ä⣬ÍⳡºÍÈܼÁЧӦµÄ´¦ÀíµÈ¡£
»¶Ó­¸÷λÀÏʦ£¬Í¬Ñ§²Î¼Ó¡£
¿Î³Ì°²ÅÅ£º
     µÚÒ»Ì죺Gaussian ºÍGaussViewÈëÃÅ
       µÚ¶þÌ죺»¯Ñ§ÀíÂÛ»ù´¡¼ò½é
       µÚÈýÌ죺¼ÆË㻯ѧÀíÂۺͲÙ×÷ʵ¼ù
       µÚËÄÌ죺¸ß¼¶¼ÆËã·½·¨¼¼ÇɵÄÑÝʾÓëÓ¦ÓÃ
       µÚÎåÌ죺Á·Ï°Óë´ðÒÉ

 ÁõÀÏʦ¸öÈËÖ÷Ò³£ºhttp://www.unc.edu/~shubin

˵Ã÷£º(1) ΪÆÚÎåÌìµÄÅàѵ²»ÊÕÈ¡ÈκηÑÓ㬵«Ê³ËÞ×ÔÀí¡£
  (2) ÓÉÓÚ³¡µØÏÞÖÆ£¬¶ÔÍâÃû¶îÏÞ±¨20ÈË¡£
  (3) ×Ô´øµçÄԺͲåÏß°å¡£
  (4) ±¾Åàѵ°à²»ÌṩGaussian/GaussView³ÌÐòÈí¼þ£¬Ñ§Ô±Ðè×ÔÐа²×°¡£
Åàѵʱ¼ä£º2016Äê 5ÔÂ30ÈÕ6ÔÂÖÁ3ÈÕ£¨ÉÏÎç8:30-11:30£¬ÏÂÎç3:00-5:30£©
µØµã£ººþÄÏʦ·¶´óѧ»¯Ñ§»¯¹¤Ñ§Ôº 127½ÌÊÒ
ÓÐÒâÕßÇëÁªÏµÓÊÏ䣺zeminwu32@163.com ÎâÔóÃñ£¨ÁõÊö±ó½ÌÊÚµÄ˶ʿÑо¿Éú£©
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

taos369

Í­³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Çó·ÖÏíÏÂGaussian-GaussView °²×°°ü
6Â¥2016-08-01 09:04:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 7 ¸ö»Ø´ð

xtugyy

ľ³æ (ÖøÃûдÊÖ)

Óлú·¢¹â²ÄÁÏ
3Â¥2016-05-01 13:49:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)

±¾Ìû½öÂ¥Ö÷¿É¼û
4Â¥2016-05-08 09:43:03
ÒÑÔÄ   ÉêÇë¼ÆËãÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)

±¾Ìû½öÂ¥Ö÷¿É¼û
5Â¥2016-05-08 09:43:15
ÒÑÔÄ   ÉêÇë¼ÆËãÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 273Çóµ÷¼Á +6 °×¾Ó²»Ò×. 2026-04-09 8/400 2026-04-15 22:02 by wooluyong
[¿¼ÑÐ] ²ÄÁÏרҵ344Çóµ÷¼Á +17 hualkop 2026-04-10 22/1100 2026-04-14 16:21 by sxdj2
[¿¼ÑÐ] µ÷¼Á +12 ÔÂ@163.com 2026-04-11 12/600 2026-04-14 15:37 by zs92450
[¿¼ÑÐ] Çóµ÷¼Á +12 ºÎÆøÕý 2026-04-13 13/650 2026-04-14 14:47 by zs92450
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +6 ban°àСÆß 2026-04-11 6/300 2026-04-14 14:06 by ¶ßÀ²AÃÎÖ»ÊǸöÃÎ
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤349·ÖÇóµ÷¼Á +16 Àîľ×Ó°¡¹þ¹þ 2026-04-12 17/850 2026-04-14 09:11 by fenglj492
[¿¼ÑÐ] 305Çóµ÷¼Á +8 Â꿨°Í¿¨boom 2026-04-11 8/400 2026-04-14 09:04 by pengliang8036
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] 302Çóµ÷¼Á +10 Ò×£¡? 2026-04-13 10/500 2026-04-13 19:04 by lbsjt
[¿¼ÑÐ] 2±¾£¬³õÊÔ303£¬0860Çóµ÷¼Á +6 floriea 2026-04-12 8/400 2026-04-12 18:13 by zhouxiaoyu
[¿¼ÑÐ] 307Çóµ÷¼Á +10 tzq94092 2026-04-10 10/500 2026-04-12 08:18 by wise999
[¿¼ÑÐ] Çóµ÷¼Á +3 θ¾·ÂÎÀÛÁË 2026-04-11 5/250 2026-04-11 14:13 by luhong1990
[¿¼ÑÐ] 0854µ÷¼Á +5 ÒôÏñµêÌý»¨¹ÄÏ· 2026-04-10 5/250 2026-04-11 10:49 by qingpingzhu
[¿¼ÑÐ] ¹ã¶«Ê¡ 085601 329·ÖÇóµ÷¼Á +14 Eddieddd 2026-04-10 14/700 2026-04-11 09:58 by bljnqdcc
[¿¼ÑÐ] 281Çóµ÷¼Á +11 ¾õµÃºÃµÄ°É 2026-04-10 11/550 2026-04-11 09:35 by ÄæË®³Ë·ç
[¿¼ÑÐ] ±¾¿Æ211 ¹¤¿Æ085400 280·ÖÇóµ÷¼Á ¿É¿çרҵ +11 LZH£¨µÈ´ýµ÷¼ÁÖÐ 2026-04-10 11/550 2026-04-11 08:39 by zhq0425
[¿¼ÑÐ] »¯Ñ§¹¤³ÌÓë¼¼Êõ324µ÷¼Á +23 Ëï³£»ª 2026-04-09 25/1250 2026-04-11 00:07 by ÆïÅ£¶Éº®½­
[¿¼ÑÐ] ¿¼Ñе÷¼Á +26 ˶ÐǸ° 2026-04-09 27/1350 2026-04-10 22:24 by Öí»á·É
[¿¼ÑÐ] 263ÄÜÔ´¶¯Á¦×¨Ë¶Çóµ÷¼Á +4 ¼Ó´óºÅ·¹ºÐ´ü 2026-04-10 4/200 2026-04-10 20:52 by gong120082
[¿¼ÑÐ] 298Çóµ÷¼Á +13 ¶¤¶£ß˶¬¹Ï 2026-04-09 13/650 2026-04-10 15:49 by jiajinhpu
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û