| ²é¿´: 2007 | »Ø¸´: 3 | ||||
yjcmwgk½û³æ (ÎÄ̳¾«Ó¢)
Ãܶȷºº¯¡¤Ð¡×ä
|
[½»Á÷]
¡¾×ªÌû¡¿Ò»Ð©Á¿»¯°ë¾Ñé·½·¨µÄËõдºÍÈ«³Æ¶ÔÕÕ ÒÑÓÐ2È˲ÎÓë
|
|
һЩÁ¿»¯°ë¾Ñé·½·¨µÄËõдºÍÈ«³Æ¶ÔÕÕ 2008-12-28 01:35 Ô×÷ÕßÊÇ·Ö×ÓÄ£ÄâÂÛ̳µÄÔªÀϼ¶»áÔ±sobereva¡£½÷Ôڴ˱íʾÓÉÖԵĸÐл¡£ ZDO=zero differential overlap HMO=Huckel molecular orbital method NDDO=neglect of diatomic differential overlap CNDO=Complete Neglect of Differential Overlap INDO=Intermediate Neglect of Differential Overlap SINDO=symmetric orthogonalised INDO MINDO=Modified Intermediate Neglect of Differential Overlap ZINDO=Zerner's Intermediate Neglect of Differential Overlap MNDO=Modified Neglect of Differential Overlap MNDO/d=based on MNDO,adds d functions AM1=Austin Model 1 SAM1=SemiChem Austin Model 1 PM3/4/5/6=Parameterized Model number 3/4/5/6 RM1=Recife Model 1 http://www.rm1.sparkle.pro.br PPP=Pariser¨CParr¨CPople method TNDO=Typed Neglect of Differential Overlap ¶îÍâ½éÉÜÒ»ÏÂTNDO£¬´ó¼Ò±È½ÏÉÙÌý˵£¬TNDOÊÇÔÚhyperchemÖÐÒýÈëµÄ£¬ÌصãÊÇÊʺϼÆËãÓë´ÅÏà¹ØµÄÊôÐÔ£¬±ÈÈç´Å³¡ÆÁ±ÎЧ¹û¡£µÚ1°æºÍµÚ2°æ·Ö±ð½Ð×öTNDO/1£¬TNDO/2¡£Ò»°ãµÄ°ë¾Ñé·¨¶¼ÊǰÑÔ×Ó°´ÕÕÔªËØÀ´Çø·Ö£¬Ò»¸öÔ×ÓÖ»ÓÐÒ»ÖÖÀàÐÍ¡£ÔÚTNDOÖУ¬²»Í¬»·¾³ÏµÄÔ×Ó³ýÁËÔªËØÊôÐÔÍ⣬»¹Óл¯Ñ§»·¾³µÄÊôÐÔ£¬±ÈÈçsp2Óësp3µÄ¾Í²»Í¬£¬Ö¬·¾Á´ÖеÄCÓë·¼Ïã»·ÖеIJ»Í¬¡£TNDO/1»ùÓÚCNDO£¬TNDO/2»ùÓÚINDO¡£Ïê¼ûHyperchem7ÊÖ²áp227 [ Last edited by yjcmwgk on 2010-4-3 at 15:46 ] |
» ÊÕ¼±¾ÌûµÄÌÔÌûר¼ÍƼö
¸ß˹ÈÕ³£Ñ§Ï°×ܽá |
» ²ÂÄãϲ»¶
ÇóÖú»ðÑæ·â¹ÜµÄʱºò¹Ü×ÓÕ¨ÁË
ÒѾÓÐ1È˻ظ´
ÇëÎÊËÄÇâß»à«ÈܽâµÄ¾ÛºÏÎïÓü״¼³Áµíʱ£¬ÈçºÎʹ³Áµí¹ý³Ì¼ÓËÙ£¿
ÒѾÓÐ2È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ120È˻ظ´
°ë͸ÐÔÈÝÆ÷½øÐиßʪ»òÕßµÍʪÑо¿
ÒѾÓÐ0È˻ظ´
Chemical Bonding at Surfaces and Interfaces,×î¾µäµÄÒ»±¾±íÃæÉÏ»¯Ñ§Ï໥×÷Óý̲Ä
ÒѾÓÐ0È˻ظ´
³ÏÑûÓÐ־֮ʿ¼ÓÈë½ËÕ´óѧ»·¾³Ñ§ÔººÏ³ÉÉúÎïѧ¿ÎÌâ×飡(³¤ÆÚ½ÓÊÕѧ˶ר˶¡¢Ë¶²©Á¬¶Á)
ÒѾÓÐ16È˻ظ´
Ò»Ö¾Ô¸ÄÏ´óÀíÂÛÓë¼ÆË㻯ѧ·½Ïò£¨070300£©342·Ö£¬Çóµ÷¼Á
ÒѾÓÐ1È˻ظ´
»¶Ó»¯Ñ§¡¢»¯¹¤¡¢ÎïÀí¡¢²ÄÁÏ¡¢»ò¼ÆËã»ú±³¾°µÄ¿¼ÑÐ×Éѯ
ÒѾÓÐ0È˻ظ´
µ÷¼ÁÕÐÉú
ÒѾÓÐ7È˻ظ´
ºÓÄÏÀí¹¤´óѧ»¯¹¤Ñ§ÔºÕÐÊÕµ÷¼ÁÉúÀ²£¡
ÒѾÓÐ1È˻ظ´
» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
¡¾·ÖÏí¡¿ÆÚ¿¯¼òдÃû³Æ´óÈ«
ÒѾÓÐ105È˻ظ´
¡¾ÇóÖú¡¿Çë¸÷λ´óÏÀ¿´¿´Õâ¸ögaussianΪɶ²»ÄÜÔËÐÐ
ÒѾÓÐ17È˻ظ´
tsiangsun
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1923.4
- É¢½ð: 42
- Ìû×Ó: 56
- ÔÚÏß: 23.7Сʱ
- ³æºÅ: 500643
- ×¢²á: 2008-02-13
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjcmwgk(½ð±Ò+1,VIP+0):ÇУ¡²Å²»ÐÅ 8-25 13:24
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjcmwgk(½ð±Ò+1,VIP+0):ÇУ¡²Å²»ÐÅ 8-25 13:24
| Õâ¸öտţ£¬ËûÒªÊǶ¼×ö¹ýµÄ»° |
2Â¥2009-08-25 12:57:52
winnieli
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 3405
- Ìû×Ó: 182
- ÔÚÏß: 79.2Сʱ
- ³æºÅ: 985939
- ×¢²á: 2010-03-30
- רҵ: ½ðÊôÓлú»¯Ñ§
3Â¥2011-04-12 21:32:44
boylc789
ľ³æ (ÖøÃûдÊÖ)
¶À¹Â
- Ó¦Öú: 3 (Ó×¶ùÔ°)
- ½ð±Ò: 3144.7
- É¢½ð: 82
- ºì»¨: 5
- Ìû×Ó: 1775
- ÔÚÏß: 539.1Сʱ
- ³æºÅ: 579648
- ×¢²á: 2008-07-11
- רҵ: ÀíÂۺͼÆË㻯ѧ

4Â¥2011-04-25 17:18:17














»Ø¸´´ËÂ¥
