²é¿´: 2846  |  »Ø¸´: 8
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

herarysara

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ÇógaussianË㻯ѧÎü¸½ÄÜ·½·¨£¿

ÇëÎÊ£ºÔÚÓÃgaussianË㻯ѧÎü¸½Ê±ÓÐʲôעÒâµã£ºÎÒÔÚËãÒ»¸ö·´Ó¦ÎïÓë´ß»¯¼ÁµÄ»¯Ñ§Îü¸½Ì¬£¬¿ÉÊÇÔõô×ÜÊÇËã³öÀ´ÊÇÎïÀíÎü¸½£¬»òÕß¾ÍÖ±½ÓÅܳÉÁ˲úÎï¡£Çó¸÷λ´óϺָµãϸÃÈçºÎÉ趨£¬·Ç³£¸Ðл¡£
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

TOMA'S INDEX

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

herarysara

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Â¥: Originally posted by yjcmwgk at 2011-12-20 10:51:27:
ûÓÐ˵Ìåϵ£¬Ã»ÓÐ˵·½·¨/»ù×飬ûÓÐ˵½á¹û¡­¡­ÄãÈôó¼ÒÔõô°ïÄ㣿

ÄúºÃ£¬ÎÒÊÇÓÃb3lyp/6-31g(d)ºÍlanl2dzØÍÊÆ¸´ºÏ»ù×飬¼ÆËãÒÒȲÔÚAuCl3ÉϵÄÎü¸½£¬Ö±½ÓÓõÄoptÓÅ»¯µÄ£¬°´Àí˵Ӧ¸ÃÊÇ»¯Ñ§Îü¸½£¬µ«ÊDz»ÖªµÀ¸ÃÈçºÎ¿ØÖƳõʼ½á¹¹£¬·ÅÌ«½üÖ±½Ó³É·´Ó¦ÎïÁË£¨ClÖ±½Ó¼Ó³ÉÉÏÈ¥ÁË£©£¬·Å̫Զ¾Í³ÉÁËÎïÀíÎü¸½£¬ÇëÎʸÃÈçºÎ´¦Àí£¬ÊÇ·ñ¿ÉÒÔÌí¼Óʲô¹Ø¼ü´Ê¿ØÖÆÆäËÑË÷¾Ö²¿Îȶ¨Ì¬£¿
3Â¥2011-12-20 11:27:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 9 ¸ö»Ø´ð

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ûÓÐ˵Ìåϵ£¬Ã»ÓÐ˵·½·¨/»ù×飬ûÓÐ˵½á¹û¡­¡­ÄãÈôó¼ÒÔõô°ïÄ㣿
2Â¥2011-12-20 10:51:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tangbaowei

ľ³æ (ÕýʽдÊÖ)

ÍÃ×Ó˯ÐÑÁË

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
Á½¸ö·Ö×Ó²»ÒªÌ«½ü£¬Ò²²»ÒªÌ«Ô¶
ÎáʧÎá°®
4Â¥2011-12-20 11:48:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÒýÓûØÌû:
3Â¥: Originally posted by herarysara at 2011-12-20 11:27:11:
ÄúºÃ£¬ÎÒÊÇÓÃb3lyp/6-31g(d)ºÍlanl2dzØÍÊÆ¸´ºÏ»ù×飬¼ÆËãÒÒȲÔÚAuCl3ÉϵÄÎü¸½£¬Ö±½ÓÓõÄoptÓÅ»¯µÄ£¬°´Àí˵Ӧ¸ÃÊÇ»¯Ñ§Îü¸½£¬µ«ÊDz»ÖªµÀ¸ÃÈçºÎ¿ØÖƳõʼ½á¹¹£¬·ÅÌ«½üÖ±½Ó³É·´Ó¦ÎïÁË£¨ClÖ±½Ó¼Ó³ÉÉÏÈ¥ÁË£©£¬·Å̫Զ¾Í³É ...

»»³Édft-d·½·¨
´Õ×ÖÊý´Õ×ÖÊý´Õ×ÖÊý´Õ×ÖÊý´Õ×ÖÊý
5Â¥2011-12-20 17:09:55
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 279·ÖÇóµ÷¼Á Ò»Ö¾Ô¸211 +8 chaojifeixia 2026-03-19 8/400 2026-03-20 11:29 by lature00
[¿¼ÑÐ] ²ÄÁÏ080500µ÷¼ÁÇóÊÕÁô +6 Ò»¿Åmeteor 2026-03-13 6/300 2026-03-20 10:41 by EBSD
[¿¼ÑÐ] 304Çóµ÷¼Á +5 ÂüÊâ2266 2026-03-18 5/250 2026-03-20 09:00 by ZHANG0tao
[¿¼ÑÐ] 320Çóµ÷¼Á0856 +3 ²»ÏëÆðÃû×Ö112 2026-03-19 3/150 2026-03-19 22:53 by ѧԱ8dgXkO
[¿¼ÑÐ] 288Çóµ÷¼Á +15 ÓÚº£º£º£º£ 2026-03-19 15/750 2026-03-19 22:41 by ѧԱ8dgXkO
[¿¼ÑÐ] 294Çóµ÷¼Á²ÄÁÏÓ뻯¹¤×¨Ë¶ +14 ݤÎÉ­ÁÖ 2026-03-18 14/700 2026-03-19 22:38 by ѧԱ8dgXkO
[¿¼²©] É격26Äê +3 °Ë6°Ë68 2026-03-19 3/150 2026-03-19 19:43 by nxgogo
[¿¼ÑÐ] 286Çóµ÷¼Á +6 lemonzzn 2026-03-16 10/500 2026-03-19 14:31 by lemonzzn
[¿¼ÑÐ] Ò»Ö¾Ô¸ Î÷±±´óѧ £¬070300»¯Ñ§Ñ§Ë¶£¬×Ü·Ö287£¬Ë«·ÇÒ»±¾£¬Çóµ÷¼Á¡£ +3 ³¿»èÏßÓëÐǺ£ 2026-03-19 3/150 2026-03-19 13:36 by houyaoxu
[¿¼ÑÐ] 0817µ÷¼Á +3 ûÓдð°¸_ 2026-03-14 3/150 2026-03-19 09:51 by Xu de nuo
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á£¬Çó¸÷λÀÏʦÊÕÁô +10 ÇïÓÐľ±± 2026-03-14 10/500 2026-03-19 05:52 by anny19840123
[¿¼ÑÐ] 311Çóµ÷¼Á +4 ¶¬Ê®Èý 2026-03-18 4/200 2026-03-18 21:47 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí²ÄÁÏ305·ÖÇóµ÷¼Á +5 ÏëÉϰ¶µÄÀðÓã 2026-03-18 6/300 2026-03-18 17:53 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 278Çóµ÷¼Á +5 ÑÌ»ðÏÈÓÚ´º 2026-03-17 5/250 2026-03-18 08:43 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 301Çóµ÷¼Á +4 A_JiXing 2026-03-16 4/200 2026-03-17 17:32 by ruiyingmiao
[¿¼ÑÐ] ÓÐûÓеÀÌú/ÍÁľµÄÏëµ÷¼ÁÄÏÁÖ£¬¸ø×Ô¼ºÕÐʦµÜÖС« +3 TqlXswl 2026-03-16 7/350 2026-03-17 15:23 by TqlXswl
[¿¼ÑÐ] 275Çóµ÷¼Á +4 Ì«Ñô»¨ÌìÌ쿪ÐÄ 2026-03-16 4/200 2026-03-17 10:53 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] Öпƴó²ÄÁÏר˶319Çóµ÷¼Á +3 ÃÏöβÄÁÏ 2026-03-13 3/150 2026-03-14 18:10 by houyaoxu
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó²ÄÁÏ324·ÖÇóµ÷¼Á +5 ãÆÐñ¶« 2026-03-14 5/250 2026-03-14 14:53 by ľ¹Ï¸à
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û