±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 731  |  »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

sijifengsd

Òø³æ (СÓÐÃûÆø)

лл¸÷λ

yjcmwgk(½ð±Ò+0,VIP+0):ADFͦ¹óµÄ¡£GamessÃâ·Ñ 11-17 18:41
¶àлÀ²¡£ÎÒ¸Õ¸Õ½Ó´¥Õâ¸ö³ÌÐò¡£²»ÖªµÀÓÐûÓÐmannual ¡¢»òÕßtutorialʲôµÄÂð£¿ÇëÎÊ
ADFÒ²ÊÇÃâ·ÑµÄÂð£¿
ËÆË®Ä껪
6Â¥2009-11-17 14:55:39
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

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
Ìáʾ: Èç¹ûÄúÔÚ30·ÖÖÓÄڻظ´¹ýÆäËûÉ¢½ðÌù£¬Ôò¿ÉÄÜÎÞ·¨ÁìÈ¡´ËÌù½ð±Ò
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] µ÷¼ÁÇóÖú +10 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-02 13/650 2026-04-05 09:41 by sam3303
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +6 Áº¸»¹óÏÕÖÐÇó 2026-04-04 6/300 2026-04-05 09:37 by MinkyXMQ
[¿¼ÑÐ] 313Çóµ÷¼Á +3 º£ÈÕº£ÈÕ 2026-04-04 3/150 2026-04-05 07:48 by 544594351
[¿¼ÑÐ] ±¾¿Æ211 ·ÖÊý293ÇëÇóµ÷¼Á +4 Á«²Ë¾ÍÊÇź°É 2026-04-01 4/200 2026-04-04 22:32 by hemengdong
[¿¼ÑÐ] 294Çóµ÷¼Á +6 Grey_Ey 2026-04-02 9/450 2026-04-04 22:07 by hemengdong
[¿¼ÑÐ] 292·Ö£¬²ÄÁÏÓ뻯¹¤£¬ÉêÇëµ÷¼Á +22 ³ÌÇçÖ® 2026-04-01 26/1300 2026-04-04 22:03 by hemengdong
[¿¼ÑÐ] 315Çóµ÷¼Á +13 СÑòСÑò_ 2026-04-02 14/700 2026-04-04 20:30 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÄÏʦ·¶361·Ö£¬»¯Ñ§Çóµ÷¼Á +7 Nicole88888 2026-04-01 7/350 2026-04-04 18:28 by macy2011
[¿¼ÑÐ] 309Çóµ÷¼Á +4 ¿ìÀÖµÄС°×¸ë 2026-04-04 5/250 2026-04-04 15:55 by cql1109
[¿¼ÑÐ] 0703Çóµ÷¼Á +6 zizimo 2026-03-31 6/300 2026-04-04 14:16 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 285Çóµ÷¼Á +7 AZMK 2026-04-02 9/450 2026-04-03 11:12 by wanwan00
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼Á +10 Gs´óÍõ 2026-04-02 10/500 2026-04-03 09:47 by ÒÅÍüÏûʧµÄž™
[¿¼ÑÐ] 309Çóµ÷¼Á +14 ´ô¹½²»ÊÇ´÷·ò 2026-04-02 14/700 2026-04-03 09:42 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏ¿ª´óѧ0710ÉúÎïѧ359Çóµ÷¼Á +6 ÍÃÍÃÍÃ111223314 2026-03-29 8/400 2026-04-02 22:37 by louise0220
[¿¼ÑÐ] »¯Ñ§070300-×Ü·Ö378-Çóµ÷¼Á +5 ŲÒÎ×ÓµÄÅÝÅÝÌÇ 2026-04-02 5/250 2026-04-02 22:20 by ZXlzxl0425
[¿¼ÑÐ] 318Çóµ÷¼Á +3 óÆÐÐÖÂÔ¶. 2026-03-31 4/200 2026-04-02 15:56 by Jaylen.
[¿¼ÑÐ] 266·Ö£¬Ò»Ö¾Ô¸µçÆø¹¤³Ì£¬±¾¿Æ²ÄÁÏ£¬Çó²ÄÁÏרҵµ÷¼Á +10 ÍÛºôºßºôºß 2026-04-01 11/550 2026-04-02 11:31 by lnilvy
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼£¬085601×Ü·Ö305Çóµ÷¼Á +9 °ëÉú¹Ï£¡ 2026-04-01 11/550 2026-04-02 08:28 by Wang200018
[¿¼ÑÐ] 349Çóµ÷¼Á +6 ³ÔµÄ²»ÉÙ 2026-04-01 6/300 2026-04-01 17:55 by JYD2011
[¿¼ÑÐ] 0710ÉúÎïѧÇóµ÷¼Á£¡ +6 ÐðÊöÎÄ 2026-03-31 6/300 2026-04-01 09:39 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û