±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 726  |  »Ø¸´: 5
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß sijifengsd µÄ 2 ¸ö½ð±Ò £¬»ØÌû¾ÍÁ¢¼´»ñµÃ 1 ¸ö½ð±Ò£¬Ã¿ÈËÓÐ 1 ´Î»ú»á
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

sijifengsd

Òø³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿ÔõôÓÃ(FMO) method ·½·¨ËãÉúÎïÌåϵ£¿

ÇëÎÊ£ºab initio molecular orbital (MO) method  for proteins, the fragment molecular orbital (FMO) method ÔõôÓÃÀ´Ëã´óÌåϵµÄ½áºÏÄÜ£¿
Ìý˵Õâ¸öÈí¼þ¿ÉÒÔÓÃ: ABINIT-MP program.µ«ÊDz»ÖªµÀÔõôµÃµ½£¿Ë³±ãÎÊһϣ¬Õâ¸öÈí¼þÊÇÊշѵÄô£¿Óеϰ¸øÎÒ´«¸öºÃô£¬±¾È˼±Óã¡
»Ø¸´´ËÂ¥
ËÆË®Ä껪
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï
sijifengsd(½ð±Ò+1):лл²ÎÓë
ÒýÓûØÌû:
Originally posted by sijifengsd at 2009-11-17 11:18:

ÇëÎÊÕâ¸öÈí¼þÔÚÄÄÀï¿ÉÒÔÏÂÔØ°¡£¿

http://www.msg.chem.iastate.edu/gamess/download.html
4Â¥2009-11-17 12:53:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 6 ¸ö»Ø´ð

Jasminer

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï
sijifengsd(½ð±Ò+1):лл²ÎÓë
ÓÃgamess£¨US£©£¬Ãâ·Ñ
2Â¥2009-11-13 12:47:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sijifengsd

Òø³æ (СÓÐÃûÆø)

лл

ÒýÓûØÌû:
Originally posted by Jasminer at 2009-11-13 12:47:
ÓÃgamess£¨US£©£¬Ãâ·Ñ

ÇëÎÊÕâ¸öÈí¼þÔÚÄÄÀï¿ÉÒÔÏÂÔØ°¡£¿
ËÆË®Ä껪
3Â¥2009-11-17 11:18:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

beefly

ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)

µØ¹µÓÍÒ±Á¶×¨¼Ò

¡ï ¡ï ¡ï
sijifengsd(½ð±Ò+1):лл²ÎÓë
yjcmwgk(½ð±Ò+2,VIP+0): 11-17 18:41
ABINIT-MPÕâ¸öÈÕ±¾Ñо¿×鿪·¢µÄ³ÌÐòÓõñȽÏÉÙ¡£GAMESSµÄFMOÊÇÁíÍâÒ»¸öÈÕ±¾×鿪·¢µÄ¡£»¹ÓÐÒ»¸öÖøÃûµÄFMO³ÌÐòÊÇADF¡£
beefly¡¶Î÷̫ƽÑó´óѧÏÖ´úÓ¢ºº´Êµä¡·[bi:fli]Å£ÈâÒ»°ãµØ
5Â¥2009-11-17 13:32:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ìáʾ: Èç¹ûÄúÔÚ30·ÖÖÓÄڻظ´¹ýÆäËûÉ¢½ðÌù£¬Ôò¿ÉÄÜÎÞ·¨ÁìÈ¡´ËÌù½ð±Ò
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 282Çóµ÷¼Á +6 aaa³µÁ¾ 2026-04-02 9/450 2026-04-04 22:15 by arrow8852
[¿¼ÑÐ] ¿¼Ñе÷¼Á +4 15615482637 2026-04-04 4/200 2026-04-04 22:14 by ÌÆãå¶ù
[¿¼ÑÐ] ÇóÉúÎïѧѧ˶µ÷¼Á¡ª¡ª364·Ö +6 ÔÆ¶äåÞÍäÖ¸ÄÏ 2026-04-04 6/300 2026-04-04 21:59 by ºÓ±±¿ÆÊ¦ÔÓÁ¸ÍŶ
[¿¼ÑÐ] 316Çóµ÷¼Á +9 Ä«³½_Orion926 2026-04-04 9/450 2026-04-04 21:35 by lbsjt
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-02 13/650 2026-04-04 20:49 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-04 20:37 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 385·Ö ÉúÎïѧ£¨071000£©Çóµ÷¼Á +9 qf626 2026-04-01 9/450 2026-04-04 18:10 by macy2011
[¿¼ÑÐ] Ò»Ö¾Ô¸0817»¯Ñ§¹¤³ÌÓë¼¼Êõ£¬Çóµ÷¼Á +24 ÎÒ²»ÊÇÖ»Òò 2026-04-02 28/1400 2026-04-04 15:15 by dongzh2009
[¿¼ÑÐ] 265Çóµ÷¼Á +17 ÁÖÉîÎÂÀ½ 2026-04-01 20/1000 2026-04-04 01:09 by userper
[¿¼ÑÐ] 350Ò»Ö¾Ô¸±±¾©º½¿Õº½Ìì´óѧ08500²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +5 kjnasfss 2026-04-03 5/250 2026-04-03 22:29 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 311Çóµ÷¼Á +20 zchqwer 2026-04-01 22/1100 2026-04-03 22:09 by lglzsd
[¿¼ÑÐ] Çóµ÷¼Á +4 15064154688 2026-04-03 5/250 2026-04-03 15:07 by zrongyan
[¿¼ÑÐ] 262Çóµ÷¼Á +6 ÀøÖ¾Ò»¶¨·¢ÎÄÕ 2026-04-02 7/350 2026-04-03 09:54 by linyelide
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏ¿ª´óѧ0710ÉúÎïѧ359Çóµ÷¼Á +6 ÍÃÍÃÍÃ111223314 2026-03-29 8/400 2026-04-02 22:37 by louise0220
[¿¼ÑÐ] һ־Ըͬ¼Ã´óѧ323·Ö£¨080500£©Çóµ÷¼Á +6 yikeniu 2026-04-01 6/300 2026-04-02 14:19 by smileboy2006
[¿¼ÑÐ] Ò»Ö¾Ô¸ÏÃÃÅ´óѧ»¯Ñ§¹¤³Ì£¨×¨Ë¶£©-Êý¶þÓ¢¶þ406·Ö-Çóµ÷¼Á +5 Ïô󻯹¤ 2026-04-01 5/250 2026-04-02 10:03 by jp9609
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +6 ÍÃͻͻͻ£¬ 2026-03-31 7/350 2026-04-02 09:06 by coolminer
[¿¼ÑÐ] Çóµ÷¼Á0703 +5 ÖܼÎÒ¢ 2026-03-31 8/400 2026-04-01 20:32 by ltltkkk
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸±±ÁÖʳƷÓëÓªÑø095500£¬301·Ö£¬ÒѹýÁù¼¶£¬ÓпÆÑо­Àú +4 ¿ìÀÖ´¢Ðî¹Þ 2026-03-31 4/200 2026-04-01 09:26 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸Äϲý´óѧ324Çóµ÷¼Á +6 hanamiko 2026-03-29 6/300 2026-03-31 16:35 by hypershenger
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û