| ²é¿´: 3838 | »Ø¸´: 8 | |||
| µ±Ç°Ö÷ÌâÒѾ´æµµ¡£ | |||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||
zhangdi6802Òø³æ (СÓÐÃûÆø)
|
[½»Á÷]
¡¾ÇóÖú¡¿»ù×é6-31G ºóµÄ+ÊÇʲôÒâ˼£¿
|
||
| Çë½Ì¸÷λ£º6-31GºóµÄ+´ú±íʲô£¬++ÄØ£¬+¾ÍÊÇ*Â𣿠6-31G+£¨d)ºÍ6-31G£¨d)ÒÔ¼°6-31G(d p)ÓÐÊ²Ã´Çø±ð°¡£¬Õâ¸öÎÊÌâÌØ±ðÀ§ÈÅÎÒ£¬¸ÕÉÏ·£¬Ð»Ð»´óÏÀÃÇ£¡ |
» ²ÂÄãϲ»¶
·Ö×Ó¶¯Á¦Ñ§Ä£ÄâºÏ×÷ÐèÇó
ÒѾÓÐ3È˻ظ´
¾Å½Ñ§Ôº2026Äê×îи߲ã´ÎÈ˲ÅÕÐÆ¸¹«¸æ
ÒѾÓÐ0È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ288È˻ظ´
ÉîÛÚÐÅÏ¢Ö°Òµ¼¼ÊõѧԺ2026Äê½ÌʦÕÐÆ¸¹«¸æ£¨×îУ©
ÒѾÓÐ0È˻ظ´
Ñо¿ÉúÕÐÉú
ÒѾÓÐ0È˻ظ´
ɽÎ÷´óѧ×ÊÔ´Óë»·¾³¹¤³ÌÑо¿Ëù»¯¹¤·ÖÀë/»·¾³¹¦ÄܲÄÁÏС×éÕÐÊÕ2026Ä격ʿÉú
ÒѾÓÐ3È˻ظ´
Ò»Ö¾Ô¸ÄÏʦ´ó0703»¯Ñ§ 275Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
A Çø¹ýÏ߾ͿÉÉê£¡ÖØÇìË«·Ç¹«°ì¸ßУ 0856µ÷¼Á£¬½ÓÊÜ¿çרҵ£¡ÄÉÃײÄÁÏ / Èó»¬ÈÈÃÅ·½Ïò
ÒѾÓÐ0È˻ظ´
»¶Óµ÷¼Á³¤½Ê¦·¶Ñ§ÔºÌÀÀÏʦ¿ÎÌâ×éµÄ˶ʿÑо¿Éú
ÒѾÓÐ0È˻ظ´
Öйúµç»ú¹¤³Ìѧ±¨µÄͶ¸åϵͳ
ÒѾÓÐ0È˻ظ´

spkeey
½ð³æ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 1244.9
- É¢½ð: 3
- Ìû×Ó: 308
- ÔÚÏß: 14Сʱ
- ³æºÅ: 320174
- ×¢²á: 2007-03-10
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

9Â¥2008-09-19 10:10:50
jghe
½ð³æ (ÖøÃûдÊÖ)
- Ó¦Öú: 10 (Ó×¶ùÔ°)
- ¹ó±ö: 0.225
- ½ð±Ò: 112.2
- É¢½ð: 5
- ºì»¨: 3
- Ìû×Ó: 1481
- ÔÚÏß: 123Сʱ
- ³æºÅ: 322338
- ×¢²á: 2007-03-11
- ÐÔ±ð: GG
- רҵ: Äý¾Û̬ÎïÐÔ II £ºµç×ӽṹ
- ¹ÜϽ: Á¿×Ó»¯Ñ§
2Â¥2008-09-18 20:23:51
zhangdi6802
Òø³æ (СÓÐÃûÆø)
- Ó¦Öú: 3 (Ó×¶ùÔ°)
- ½ð±Ò: 103.1
- É¢½ð: 418
- ºì»¨: 2
- Ìû×Ó: 238
- ÔÚÏß: 195.2Сʱ
- ³æºÅ: 574210
- ×¢²á: 2008-06-15
- ÐÔ±ð: GG
- רҵ: ʳƷ¿ÆÑ§»ù´¡

3Â¥2008-09-18 20:32:21
hairan
ľ³æ (ÖøÃûдÊÖ)
î§Ë¯Ä¾³æ
- QCÇ¿Ìû: 3
- Ó¦Öú: 61 (³õÖÐÉú)
- ¹ó±ö: 1.06
- ½ð±Ò: 4974.3
- É¢½ð: 8072
- ºì»¨: 44
- Ìû×Ó: 2901
- ÔÚÏß: 733.4Сʱ
- ³æºÅ: 432069
- ×¢²á: 2007-08-12
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡ï
µÆËþÊØÍûÕß(½ð±Ò+1,VIP+0):лл֧³ÖСľ³æ
µÆËþÊØÍûÕß(½ð±Ò+1,VIP+0):лл֧³ÖСľ³æ
| Èç¹ûÄãµÄµçÄÔÉϰ²×°ÁËwindows°æµÄgaussian03£¬×¢Ò⣺Êǰ²×°µÄ£¬¶ø²»ÊÇÄÇÖÖÖ±½Ó¿½±´¹ýÀ´µÄ£¬ÄÇôµã»÷ ¿ªÊ¼ -> ³ÌÐò -> Gaussian 03W -> Gaussian 03W Help ÔÚ´ò¿ªµÄÍøÒ³ÖÐÕÒµ½ Basis Sets£¬ÀïÃæ½éÉܵĺÜÏêϸ¡£ |

4Â¥2008-09-18 20:46:33














»Ø¸´´ËÂ¥