Znn3bq.jpeg
ÉÇÍ·´óѧº£Ñó¿ÆÑ§½ÓÊܵ÷¼Á
²é¿´: 1204  |  »Ø¸´: 19
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

kaegi

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] ÏÂÃæÁ½¸öÎïÖÖÐè²»ÐèÒª×öbsse½ÃÕý£¿

ÓÐÒ»¸ö·´Ó¦ÊÇRh(I)-SiR3ÂçºÏÎïÓë±½ÒÒÇ裬SiSiÊÔ¼Á·´Ó¦£¬¼ÆËãµÄʱºò°ÑÕâÈýÕß×÷ΪÆðʼµã¡£Ê×ÏÈRhÂçºÏÎïÓë±½ÒÒÇè·´Ó¦ÐγÉÎïÖÖA£¬È»ºóAÔÙ·´Ó¦Éú³ÉRh-PhÂçºÏÎïºÍ¹èÒìÇè¡£½Ó×ÅRh-PhÓëSiÊÔ¼Á·´Ó¦µÃµ½ÎïÖÖC¡£
ÎÒµÄÎÊÌâÊÇ
1.¶ÔÓÚÎïÖÖA×öBsse½ÃÕýʱ°ÑAÖеÄRhºÍSiR3·Öµ½Í¬Ò»Ë鯬ÀïÃæ£¬²¢Öƶ¨ÆäµçºÉºÍ×ÔÑ¡¶àÖØ¶È·Ö±ðΪ0 1ÊÇ·ñÕýÈ·£¿
2.¶ÔÓÚÎïÖÖBºÍCÊÇ·ñÒ²Òª×öBsse½ÃÕý£¿Èç¹ûÐèÒª£¬¾ßÌåÊÇÈçºÎ»®·ÖË鯬ºÍµçºÉµÄ£¿




[ Last edited by kaegi on 2012-6-20 at 15:39 ]
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

gujing136

½û³æ (ÎÄ̳¾«Ó¢)

ÒýÓûØÌû:
7Â¥: Originally posted by kaegi at 2012-06-25 15:01:24
Õâ¸öÐèÒª±È½Ï¸÷¸öÎïÖÖÖ®¼äµÄÏà¶ÔÄÜÁ¿¸ßµÍ£¬È·ÇеØËµ²»ËãÊǽáºÏÄÜ£¬¶øÊÇ·´Ó¦ÄÜ£¬¸÷¸öÎïÖÖÖ®¼ä¶¼ÓÐÃ÷È·µÄ»¯Ñ§¼ü¶ÏÁÑ¡£²»ÖªµÀÕâÖÖÇé¿öÏÂÊDz»ÊÇÐèÒª¿¼ÂÇbsse...

¿ÉÒÔ¿¼ÂÇ×öÒ»¸ö
½ÐÀÏèµÄÍÃ×Ó
8Â¥2012-06-25 15:19:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 20 ¸ö»Ø´ð

kaegi

½ð³æ (СÓÐÃûÆø)

ûÈËÀí°¡×Ô¼º¶¥
2Â¥2012-06-21 10:39:44
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gujing136

½û³æ (ÎÄ̳¾«Ó¢)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+1 2012-06-21 17:25:25
BSSE½ÃÕýÊÇ×ö½áºÏÄÜÓõģ¬ÄãÕâ¸öÒªËã½áºÏÄÜô£¿
½ÐÀÏèµÄÍÃ×Ó
3Â¥2012-06-21 16:55:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ChemiAndy

ľ³æ (ÕýʽдÊÖ)


¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
È·ÇеØËµ£¬·²ÊÇÉæ¼°µ½ÄÜÁ¿¼Ó¼õ£¬¶øÕâЩÄÜÁ¿¼ÆËã·Ö±ð°üº¬Á˲»Í¬ÊýÄ¿µÄ»ùº¯Êý£¬¾ÍÒª¿¼ÂǽøÐÐBSSEУÕý¡£½áºÏÄÜÊÇÆäÖÐÒ»ÖÖ¡£

Â¥Ö÷Õâ¸ö¿ÉÄÜÐèÒª½øÐмӼõÒÔ¼ÆËã·´Ó¦ÄÜ£¬¶øÇÒ²»Í¬·Ö×ÓÖÖÀà°üº¬Á˲»Í¬µç×ÓÊýÄ¿£¬Ò²¾ÍÊÇÓв»Í¬µÄ»ùº¯ÊýÊýÄ¿£¬µ±È»´æÔÚBSSEУÕýÎÊÌâ¡£

ÄÇÊÇ·ñÒ»¶¨ÒªÐ£ÕýÄØ£¿²»Êǵģ¬ÕâÈ¡¾öÓÚÄÜÁ¿¼ÆËãÊÇ·ñÒѾ­´ïµ½»ù×鼫ÏÞ¡£±ÈÈ磬ÄãÓÃMP2/6-31g*ºÍMP2/6-311g**¼ÆËãµÃµ½µÄ·´Ó¦ÄÜ¿ÉÄÜÊDz»Ò»ÑùµÄ¡£µ«ÊÇÈç¹ûʹÓ󬼶´óµÄ»ù×飬±ÈÈçaug-cc-pVQZ£¬Õâʱºò£¬½øÒ»²½Ôö¼Ó»ù×éµÃµ½µÄ·´Ó¦ÄÜÊÇÒ»ÑùµÄ£¬ÊÕÁ²ÁË£¬¾ÍÎÞÐèBSSE¡£
4Â¥2012-06-22 07:24:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085400µç×ÓÐÅÏ¢Àࣨ´¨´ó¿ØÖƹ¤³Ì£©Çóµ÷¼Á¿É¿çרҵ ÇóÀÏʦÁªÏµ +6 626776879 2026-04-08 6/300 2026-04-14 20:09 by gwjxiaolang
[¿¼ÑÐ] Ò»Ö¾Ô¸Öйú¿ÆÑ§ÔºÉϺ£ÓлúËù£¬Óлú»¯Ñ§356·ÖÕÒµ÷¼Á +12 Nadiums 2026-04-09 13/650 2026-04-14 17:54 by lhj2009
[¿¼ÑÐ] 300·ÖÇóµ÷¼Á £¨085501»úеר˶£¬±¾¿ÆÑï´ó£© +9 xu@841019 2026-04-11 10/500 2026-04-14 08:48 by ľľmumu¡«
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] 297¹¤¿Æ£¬Çóµ÷¼Á? +13 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-12 13/650 2026-04-13 14:12 by dingyanbo1
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼Á +29 ÔÆÄ¾´ï´ï 2026-04-11 31/1550 2026-04-13 13:32 by lyh³ÀÏʦ
[¿¼ÑÐ] 0854µ÷¼Á +10 ³¤¹­°Á 2026-04-11 11/550 2026-04-13 10:38 by wp06
[¿¼ÑÐ] 314Çóµ÷¼Á +24 wakeluofu 2026-04-09 25/1250 2026-04-13 08:58 by lhj2009
[¿¼ÑÐ] 295·ÖÇóµ÷¼Á +13 ?ÒªÉϰ¶? 2026-04-10 13/650 2026-04-12 15:37 by laoshidan
[¿¼ÑÐ] 0854µ÷¼Á +12 ³¤¹­°Á 2026-04-09 13/650 2026-04-12 09:56 by ÄæË®³Ë·ç
[ÕÒ¹¤×÷] ɽ¶«¸ßУ½Ìʦ¿¼ºË³¬¼¶ÎÞµ×Ïߣ¬Ô±¹¤¹ý²»ÏÂÈ¥À² +4 qut2026 2026-04-09 9/450 2026-04-12 00:54 by qut2026
[¿¼ÑÐ] Çóµ÷¼Á +11 ôæôæÒ»ÊéÉú 2026-04-09 11/550 2026-04-11 19:57 by ÄæË®³Ë·ç
[¿¼ÑÐ] 0854µ÷¼Á +5 ÒôÏñµêÌý»¨¹ÄÏ· 2026-04-10 5/250 2026-04-11 10:49 by qingpingzhu
[¿¼ÑÐ] 22408 327·ÖÇóµ÷¼Á +4 ÔÏ·çkon 2026-04-10 4/200 2026-04-11 09:51 by Öí»á·É
[¿¼ÑÐ] Ò»Ö¾Ô¸¶«±±´óѧ¿ØÖƹ¤³Ì085406Êý¶þÓ¢¶þ385£¬Çóµ÷¼Á +8 Ezra_Zhang 2026-04-09 8/400 2026-04-11 09:15 by Öí»á·É
[¿¼ÑÐ] 342µç×ÓÐÅϢר˶Çóµ÷¼Á +9 ÄãÈÃÎÒÔõôÀóÖ¦ 2026-04-10 10/500 2026-04-11 08:33 by zhq0425
[¿¼ÑÐ] ¼ÆËã»úÀàÇóµ÷¼Á£¬22408-274·Ö +7 Éϰ¶deС³æ 2026-04-09 8/400 2026-04-10 19:56 by fxue1114
[¿¼ÑÐ] 085601³õÊÔ330·ÖÕÒµ÷¼Á +10 Á÷ÐÄÄ̻ưül 2026-04-09 10/500 2026-04-10 08:14 by Sammy2
[¿¼ÑÐ] Òѵ÷¼Á +18 ²ñ¿¤Ã¨_ 2026-04-09 19/950 2026-04-09 22:10 by ²ñ¿¤Ã¨_
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +28 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 28/1400 2026-04-09 20:08 by µ¹Êý321?
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û