±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1196  |  »Ø¸´: 13
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

ð©¶ù165

Í­³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿Óиö¸ÅÄîûÃ÷°×

ONIOM-based methodÊÇʲô·½·¨°¡£¬ÔÚÎÄÏ×Öо­³£Ìáµ½£¬¿´¹ýONIOMµÄ½éÉܵ«»¹ÊÇû¶®£¬ONIOM±¾ÉíÊǽáºÏµÄÒâ˼°É£¿ÄÄλ°ïæ½éÉÜÏÂ
»Ø¸´´ËÂ¥
×ö¸ö´ÏÃ÷ÓÅÑŵÄÅ®ÈË
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

erylingjet

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
gwdavid(½ð±Ò+2,VIP+0):3q 6-8 18:37
Ó¦¸ÃÊÇ·Ö²ã¼ÆËãÁË,ÊÖ²áÉϺÃÏñÓÐ,Äã¿´¿´°É
2Â¥2009-06-08 16:54:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gwdavid

ľ³æ (ÖøÃûдÊÖ)

Сľ³æÉ¢±ø¿Ó¿Ó³¤

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yuhuobuku(½ð±Ò+1,VIP+0):»¶Ó­²Î¼ÓÌÖÂÛ 6-8 19:03
ÎÒÏëÓ¦¸ÃÊÇonion°É,ºÇºÇ
¸öÈ˲©¿Í£º[url]http://blog.sina.com.cn/gaiwei[/url]
3Â¥2009-06-08 18:37:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

erylingjet

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yuhuobuku(½ð±Ò+1,VIP+0):»¶Ó­²Î¼ÓÌÖÂÛ 6-12 09:21
ÒýÓûØÌû:
Originally posted by gwdavid at 2009-6-8 18:37:
ÎÒÏëÓ¦¸ÃÊÇonion°É,ºÇºÇ

²»¶Ô,ÊÇmultilayer oniom model

¿ÉÒԲο¼Ò»ÏÂÕâ¸öÌû×Ó,http://muchong.com/bbs/viewthread.php?tid=1370772&fpage=1
4Â¥2009-06-08 19:23:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

loovfnd

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
erylingjet(½ð±Ò+1,VIP+0):¸Ðл½»Á÷,Óï¾äºÃÏñ²»Í¨Ë³,ºÙºÙ 6-8 19:57
oniomÊÇ·Ö²ãÓÅ»¯µÄ·½·¨£¬Ã¿²ãʹÓò»Í¬µÄ»ù×é¡£ÔÙ½áºÏ³öÉÙÉÔ΢¸´Ôӵ㡣
ĪǿÇó£¡
5Â¥2009-06-08 19:54:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ð©¶ù165

Í­³æ (ÕýʽдÊÖ)

лл¥Éϸ÷룬·Ö²ãÓÅ»¯Ó¦¸ÃЧ¹û¸üºÃһЩ°É
×ö¸ö´ÏÃ÷ÓÅÑŵÄÅ®ÈË
6Â¥2009-06-11 20:03:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ð©¶ù165

Í­³æ (ÕýʽдÊÖ)

ÎÒ¾õµÄÕâÖÖ·½·¨¿ÉÒԺúÃѧһÏ£¬Ó¦¸Ã±ÈÕû¸ö·Ö×Ó½øÐÐÓÅ»¯Òª¾«È·Ò»Ð©
×ö¸ö´ÏÃ÷ÓÅÑŵÄÅ®ÈË
7Â¥2009-06-11 20:19:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

rt3454l

ÖÁ×ðľ³æ (СÓÐÃûÆø)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yuhuobuku(½ð±Ò+2,VIP+0):»¶Ó­²Î¼ÓÌÖÂÛ 6-12 09:21
ONIOMÊÇ·Ö²ã¼ÆË㣬ºÍØÍÊÆ»ù×éÓÐЩÀàËÆ£¬Ö»²»¹ýÊÇÏà¶ÔÓڽϴóµÄ·Ö×Ó»ò·Ö×Ó´Ø£¬ÄÚ²ãµÄ·Ö×Ó»ò½ÏÉÙ²ÎÓë·´Ó¦µÄ·Ö×ÓÓÃС»ù×飬¶øÍâ²ãµÄ»ò²ÎÓë·´Ó¦µÄ·Ö×ÓÓôóµÄ¾«È·µÄ»ù×éÈ¥¼ÆË㣬һ°ãONIOMÔÚÒ©Îï·Ö×Ó¼ÆËãÖÐÓõĺܶ࣬²»ÖªµÀÂ¥Ö÷ÊÇ×¼±¸ËãЩʲô¡£
8Â¥2009-06-12 08:52:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ð©¶ù165

Í­³æ (ÕýʽдÊÖ)

ÎÒËãµÄÊÇÓɶþÈýÊ®¸öÔ­×Ó×é³ÉµÄÓлú·Ö×Ó£¬ÊDz»ÊǸüºÏÊÊÓÃoniom°¡
×ö¸ö´ÏÃ÷ÓÅÑŵÄÅ®ÈË
9Â¥2009-06-15 11:53:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yzcluster

½ð³æ (ÖøÃûдÊÖ)

Сľ³æÉ¨Ã¤ÈË

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
erylingjet(½ð±Ò+1,VIP+0):¸Ðл½»Á÷ 6-15 16:56
Óлú·Ö×ÓÖ±½Ó¼ÆËã¾Í¿ÉÒÔÁË¡£¶þÈýÊ®¸öÔ­×ÓÒ»°ãPC¾Í¿ÉÒÔ×ö¡£
10Â¥2009-06-15 15:42:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ð©¶ù165 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +7 ´ºÈÕÀ´ÐÅ- 2026-04-03 7/350 2026-04-05 12:50 by Hdyxbekcb
[¿¼ÑÐ] 081700£¬311£¬Çóµ÷¼Á +12 ¶¬Ê®Èý 2026-04-04 13/650 2026-04-05 08:43 by qlm5820
[¿¼ÑÐ] Çóµ÷¼Á +7 xzghyuj 2026-04-04 7/350 2026-04-04 22:25 by oooqiao
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£´óѧÉúÎïѧ346 +3 ÉϺ£´óѧ346µ÷¼Á 2026-04-03 3/150 2026-04-04 20:20 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á£º085600²ÄÁÏÓ뻯¹¤£¬¿¼²Ä¿Æ»ù£¬×Ü·Ö319 +21 678lucky 2026-03-31 26/1300 2026-04-04 16:22 by dongzh2009
[¿¼ÑÐ] 26µ÷¼Á 086003 +6 ʧ»îµÄϸ°û 2026-04-04 6/300 2026-04-04 09:50 by zhangdingwa
[¿¼ÑÐ] 0856µ÷¼Á +8 ÇúÌýóÞ 2026-03-30 8/400 2026-04-04 08:46 by tianyyysss
[¿¼ÑÐ] Çóµ÷¼Á +4 ѹÁ¦??´ó 2026-04-03 4/200 2026-04-03 21:36 by à£à£à£0119
[¿¼ÑÐ] 295Çóµ÷¼Á +3 ÉÐټѽ 2026-04-03 4/200 2026-04-03 21:23 by zhq0425
[¿¼ÑÐ] 336Çóµ÷¼Á +8 kiyy 2026-04-01 8/400 2026-04-03 19:41 by lijunpoly
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +7 ÏàÐűػá¹ââÍòÕ 2026-04-02 7/350 2026-04-03 16:48 by rzh123456
[¿¼ÑÐ] ³õÊԳɼ¨337ÕÒµ÷¼Á +3 ??? ?. ? 2026-04-03 3/150 2026-04-03 11:43 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 319Çóµ÷¼Á +18 Ì«ÈÝÒ×1018 2026-04-01 18/900 2026-04-03 11:18 by linyelide
[¿¼ÑÐ] 316Çóµ÷¼Á +14 ÖÛ×Ô¹£ 2026-04-01 18/900 2026-04-03 10:28 by linyelide
[¿¼ÑÐ] µ÷¼Á +7 ìíáº. 2026-04-02 7/350 2026-04-03 09:11 by »¨ß»¹Ç·600
[¿¼ÑÐ] »¯Ñ§070300-×Ü·Ö378-Çóµ÷¼Á +5 ŲÒÎ×ÓµÄÅÝÅÝÌÇ 2026-04-02 5/250 2026-04-02 22:20 by ZXlzxl0425
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +6 ´ó²öС×Ó 2026-04-02 6/300 2026-04-02 21:54 by dongzh2009
[¿¼ÑÐ] 279Çóµ÷¼Á +5 ¸µÎÄÇï 2026-04-02 5/250 2026-04-02 18:10 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»´ó²ÄÁÏѧ˶£¨Ó¢Ò»Êý¶þ£©347£¬Çóµ÷¼Áµ½¸ß·Ö×Ó/²ÄÁÏÏà¹Ø×¨Òµ +7 zju51 2026-03-31 9/450 2026-04-01 19:35 by CFQZAFU
[¿¼ÑÐ] Çóµ÷¼Á +8 11ggg 2026-03-30 8/400 2026-03-31 13:56 by nanaliuyun
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û