| ²é¿´: 510 | »Ø¸´: 3 | ||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | ||
lysincerelyľ³æ (СÓÐÃûÆø)
|
[ÇóÖú]
B3LYP·½·¨ÄÜ·ñÌø¹ýÓÅ»¯¹ý³Ì£¿
|
|
| СµÜÐÂÊÖ£¬´ÓccdcÖв鵽ÎïÖʽṹ£¬ÓÃgaussian viewÖ´ÐÐgaussian¼ÆË㣬²ÉÓÃB3LYP/6-31+(d)·½·¨£¬¼ÆËãÖдæÔÚÓÅ»¯¹ý³Ì¡£ÓÃgaussian view´ò¿ª¼ÆËã½á¹û·¢ÏÖ£¬ÓÐЩ¼üûÁË£¬»òÕßµ¥¼ü±äË«¼ü¡£µ«ccdcÖеĽṹÒѾÊDZê×¼½á¹¹£¬ÇëÎÊÓÐʲô·½·¨ÄÜÌø¹ýÓÅ»¯²¿·ÖÂ𣿣¨Ä¿µÄÊǵõ½¼«»¯ÂʺͺìÍâ¹âÆ×µÄÏà¹ØÊý¾Ý£© Íò·Ö¸Ðл£¡ |
» ²ÂÄãϲ»¶
ÇóÖúÁ¢·½¾§ÌåIn(OH)3µÄCIF¿¨Æ¬
ÒѾÓÐ2È˻ظ´
[µç×ӽ̲Ä]Ìì½ò´óѧÎïÀí»¯Ñ§£¨µÚÆß°æ£©ÉÏ¡¢Ï²á
ÒѾÓÐ4È˻ظ´
ÎïÀí»¯Ñ§ÂÛÎÄÈóÉ«/·ÒëÔõôÊÕ·Ñ?
ÒѾÓÐ239È˻ظ´
ÒõÀë×Ó½»»»Ä¤µç½â¶þÑõ»¯Ì¼»¹Ô
ÒѾÓÐ0È˻ظ´
¾Å½Ñ§Ôº2026Äê×îи߲ã´ÎÈ˲ÅÕÐÆ¸¹«¸æ
ÒѾÓÐ0È˻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
ÒѾÓÐ4È˻ظ´
A Çø¹ýÏ߾ͿÉÉê£¡ÖØÇìË«·Ç¹«°ì¸ßУ 0856µ÷¼Á£¬½ÓÊÜ¿çרҵ£¡ÄÉÃײÄÁÏ / Èó»¬ÈÈÃÅ·½Ïò
ÒѾÓÐ0È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
b3lyp/3-21gÕÒ¹ý¶É̬£¬ÓÃb3lyp/6-31g*ÓÅ»¯Ê±£¬¾ÍÀÏÅÜÆ«È»ºó³É¼üÁË...
ÒѾÓÐ7È˻ظ´
¡¾ÇóÖú¡¿b3lyp/6-31g*ÓÅ»¯Ê±ÎÞ´íÎóÌáʾÖжÏ
ÒѾÓÐ10È˻ظ´

lysincerely
ľ³æ (СÓÐÃûÆø)
- Ó¦Öú: 3 (Ó×¶ùÔ°)
- ½ð±Ò: 1976.9
- ºì»¨: 1
- Ìû×Ó: 232
- ÔÚÏß: 367.2Сʱ
- ³æºÅ: 1371797
- ×¢²á: 2011-08-18
- רҵ: Ãô¸Ðµç×ÓѧÓë´«¸ÐÆ÷

3Â¥2013-05-17 09:04:43
dai_shen844
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 36 (СѧÉú)
- ½ð±Ò: 1118.7
- É¢½ð: 100
- ºì»¨: 2
- Ìû×Ó: 275
- ÔÚÏß: 96.7Сʱ
- ³æºÅ: 1721764
- ×¢²á: 2012-03-28
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ

2Â¥2013-05-16 17:19:24
ءį
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 7 (Ó×¶ùÔ°)
- ½ð±Ò: 1404.6
- É¢½ð: 592
- ºì»¨: 1
- Ìû×Ó: 219
- ÔÚÏß: 270.5Сʱ
- ³æºÅ: 968354
- ×¢²á: 2010-03-12
- רҵ: Ï·Çú
4Â¥2013-05-17 11:53:18














»Ø¸´´ËÂ¥