±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1002  |  »Ø¸´: 3

bluejh

½ð³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿nbo·ÖÎö ÒÑÓÐ3È˲ÎÓë

Çë½Ì´ó¼Ò£¬ ×önbo·ÖÎöʱ£¬ÏÂÁÐÊä³ö¸ÃÓÃÄĸöÄØ£¿  
1. NATURAL BOND ORBITAL ANALYSIS ºóÃæµÄ  (Occupancy)   Bond orbital/ Coefficients/ Hybrids
2. NATURAL LOCALIZED MOLECULAR ORBITAL (NLMO) ANALYSISÇø±ðÔÚÄÄÀïÄØ

  ·ÖÎö½á¹ûÒÀ¾ÝÄĸö¸üºÃÄØ

[ Last edited by yjcmwgk on 2010-12-9 at 08:51 ]
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

µ°¸â

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

¹ð¹ð5708

ľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
erylingjet(½ð±Ò+2):»¶Ó­³£À´£¡ 2010-12-07 22:57:17
ÊDz»ÊÇÏ൱ÓÚǰ¶¼ÊÇ×ܵģ¬ºóÕßijһ²¿·ÖµÄÄØ£¿
¿¶¿®ÕÉ·òÖ¾,Éúµ±ÖÒТÃÅ,Ϊ¹ÙÐë×öÏà,¼°µÚ±ØÕùÏÈ.
2Â¥2010-12-07 22:55:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zpppanda111

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
1. NATURAL BOND ORBITAL ANALYSIS ºóÃæµÄ  (Occupancy)   Bond orbital/ Coefficients/ Hybrids

ÓõıȽ϶࣬ÀïÃæÌṩµÄNBOÐÅÏ¢¸ü¾ßÌ壬Äã¿ÉÒÔ¿´ÏÂ
http://www.chem.wisc.edu/~nbo5/tutorial.html
3Â¥2010-12-08 08:06:29
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
4Â¥2010-12-08 17:27:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ bluejh µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 295Çóµ÷¼Á +14 xndjjj 2026-04-04 15/750 2026-04-06 13:24 by 272061663
[¿¼ÑÐ] ¿¼ÑÐÉúÎïÓëÒ½Ò©µ÷¼Á +8 Ìúº©º©123425 2026-03-31 9/450 2026-04-06 12:52 by lys0704
[¿¼ÑÐ] 372·Ö£¬²ÄÁÏÓ뻯¹¤£¬Ò»Ö¾Ô¸ºþÄÏ´óѧ£¬Çóµ÷¼Á +3 À¶¼ãƬ 2026-04-01 3/150 2026-04-06 09:04 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 284Çóµ÷¼Á +7 Ðìͬѧ_001 2026-04-04 13/650 2026-04-05 17:19 by yulian1987
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-04 4/200 2026-04-05 09:44 by zhq0425
[¿¼ÑÐ] 413Çóµ÷¼Á +4 ¿Âijij 2026-03-31 4/200 2026-04-04 22:18 by ѧԱ6BFVa3
[¿¼ÑÐ] ²ÄÁÏר˶306Ó¢Ò»Êý¶þ +8 z1z2z3879 2026-03-31 8/400 2026-04-04 22:08 by hemengdong
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-04 20:37 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 085601£¬Ò»Ö¾Ô¸Ïôó334¸´ÊÔ±»Ë¢Çóµ÷¼Á +13 ÔøÑöÖ® 2026-04-03 15/750 2026-04-04 20:13 by dongzh2009
[¿¼ÑÐ] 321Çóµ÷¼Á +13 ÈÏÕæÇóÉÏѧ 2026-04-02 13/650 2026-04-04 18:23 by macy2011
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖйúʯÓÍ´óѧ»¯Ñ§¹¤³Ì323·ÖÇóµ÷¼Á +4 »¯¹¤×¨Ë¶323·Ö 2026-04-03 6/300 2026-04-03 22:12 by dongzh2009
[¿¼ÑÐ] 289-Çóµ÷¼Á +4 ÕâÀïÊÇ_ 2026-04-03 4/200 2026-04-03 14:23 by 1753564080
[¿¼ÑÐ] Ò»Ö¾Ô¸Éî´ó085601²ÄÁϹ¤³Ìרҵ£¨×¨Ë¶£©300·Ö¿ÉÒÔµ÷¼ÁÈ¥ÄÄ +8 10160315 2026-04-02 8/400 2026-04-03 09:36 by hypershenger
[¿¼ÑÐ] Çóµ÷¼Á22408 288·Ö +5 new382 2026-04-02 5/250 2026-04-03 09:13 by ×íÔÚ·çÀï
[¿¼ÑÐ] µ÷¼Á +3 osbbx 2026-04-02 3/150 2026-04-03 07:47 by cc8418
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ085601²ÄÁϹ¤³ÌÓ¢Ò»Êý¶þ³õÊÔ×Ü·Ö335Çóµ÷¼Á +9 Ë«ÂíβƦÀϰå2 2026-04-01 9/450 2026-04-02 12:14 by oooqiao
[¿¼ÑÐ] Ò»Ö¾Ô¸9³õÊÔ366 ±¾Ë«·ÇÇóµ÷¼Á +4 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 4/200 2026-04-02 09:56 by guanxin1001
[¿¼ÑÐ] ²ÄÁÏרҵµ÷¼Á +5 À²À²À²¿Þ 2026-03-31 6/300 2026-04-01 16:48 by JourneyLucky
[¿¼ÑÐ] 080500-315·Ö¸´ÊÔµ÷¼Á +9 Éϰ¶3821 2026-03-31 9/450 2026-03-31 17:29 by ÌÆãå¶ù
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷µç085401ÊýÒ»Ó¢Ò»299Çóµ÷¼Á Áù¼¶521 +4 °®³Ô´óѼÀæ 2026-03-31 4/200 2026-03-31 11:51 by ²«»÷518
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û