Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 356  |  »Ø¸´: 3
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß wanshidaji µÄ 3 ¸ö½ð±Ò

wanshidaji

Òø³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿¸÷ÖÖ¼ÆËã·½·¨µÄУÕýÒò×ÓÊý¾Ý±í

Á¿×Ó»¯Ñ§½²ÒåÖ»Óв¿·Ö¼òµ¥·½·¨µÄУÕýÒò×ÓµÄÊý¾Ý£¬ÓÐûÓбȽÏÈ«µÄУÕýÒò×ÓÊý¾Ý±í°¡
лл¸÷λ
±ÈÈçB3LYP/LANL2DZµÄƵÂʽÃÕýÒò×ÓÊǶàÉÙ

[ Last edited by wanshidaji on 2008-6-3 at 18:01 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

minisun

½ð³æ (ÕýʽдÊÖ)

B3LYP/LANL2DZµÄƵÂʽÃÕýÒò×ÓÊÇ1.0

¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¯Ñ§ÇøÕýÔÚ¾Ù°ìÊ®´ó¡°ÄÍ˼¡±°æÖ÷ÆÀÑ¡£¬http://emuch.net/bbs/viewthread.php?tid=845527£¬»¶Ó­ÄãȥͶƱ֧³Ö¼ÆÄ£°æ°æÖ÷£¡
Éæ¼°µ½½ðÊôÔ­×ÓµÄÕñ¶¯Ä£Ê½£¬ÆäƵÂÊУÕýÒò×ÓÒ»°ãΪ1.0
¼ûLi S. J., Wu D. Y., Xu X. Y., Gu R. A., J. Raman Spectrosc. 2007, 38: 1436 ¨C1443.

ÆäËüºÃ¶à·½·¨²»Í¬»ù×éµÄУÕýÒò×ÓÍøÉÏ¿ÉÒԲ鵽µÄ°¡£¡
ÿÌìÐÄÆ½ÆøºÍ¡¢½¡½¡¿µ¿µµÄ»îמÍÊÇÐÒ¸££¡
2Â¥2008-06-10 14:12:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wxjbuilder

ľ³æ (ÖªÃû×÷¼Ò)

¼ÇµÃÓÐÒ»¸öÍøÒ³ÁгöÁËÒ»¶ÑµÃ½ÃÕýÒò×Ó£¬È´ÍüÁËÍøÖ·ÁË£¬²ÑÀ¢°¡
ÓÆÓÆÌìµØ£¬ÄκζÀÁ¢²Ô㣿
3Â¥2008-06-10 17:30:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ wanshidaji µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +15 Áº¸»¹óÏÕÖÐÇó 2026-04-04 15/750 2026-04-07 21:49 by 418490947
[¿¼ÑÐ] 285Çóµ÷¼Á +15 ŶßϺôo 2026-04-04 17/850 2026-04-06 23:02 by chenzhimin
[¿¼ÑÐ] 304Çóµ÷¼Á +4 luoye0105 2026-04-05 4/200 2026-04-06 21:05 by ľ×Ó¾ý1218
[¿¼ÑÐ] 26×ÔÈ»µØÀíѧ303·ÖÇóµ÷¼Á +4 Ò»Õ½³É˶°¡°¡°¡° 2026-04-06 9/450 2026-04-06 20:35 by lin-da
[¿¼ÑÐ] ¿¼Ñе÷¼Á +5 ÃÀÀöµÄyouth_ 2026-04-04 6/300 2026-04-06 06:57 by houyaoxu
[¿¼ÑÐ] 085500»úеר˶³õÊÔ288Çóµ÷¼Á +3 GZJguo666- 2026-04-05 3/150 2026-04-05 18:06 by jkddd
[¿¼ÑÐ] 275Çóµ÷¼Á +16 waltzh 2026-04-01 16/800 2026-04-05 17:14 by Hdyxbekcb
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì×Ü·Ö358Çóµ÷¼Á +6 cs0106 2026-04-05 6/300 2026-04-05 16:34 by imissbao
[¿¼ÑÐ] 323Çóµ÷¼Á +8 Àî¼ÑÀÖ1 2026-04-04 8/400 2026-04-04 22:26 by hemengdong
[¿¼ÑÐ] 331Çóµ÷¼Á +3 niby 2026-04-02 3/150 2026-04-04 19:56 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ¿¼Ñе÷¼Á +5 СsunÒªºÃÔË 2026-04-03 5/250 2026-04-03 21:43 by à£à£à£0119
[¿¼ÑÐ] 338Çóµ÷¼Á +4 zzz£¬£¬r 2026-04-03 4/200 2026-04-03 16:39 by lijunpoly
[¿¼ÑÐ] 274Çóµ÷¼Á +9 ˳Àí³ÉÕÅ 2026-04-03 10/500 2026-04-03 15:10 by °¡¿¡£¡
[¿¼ÑÐ] ÊýÒ»Ó¢Ò»285Çóµ÷¼Á +7 AZMK 2026-04-03 9/450 2026-04-03 13:03 by ms629
[¿¼ÑÐ] 285Çóµ÷¼Á +7 AZMK 2026-04-02 9/450 2026-04-03 11:12 by wanwan00
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +4 Ò»ÑùYWY 2026-04-03 4/200 2026-04-03 09:48 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 309Çóµ÷¼Á +14 ´ô¹½²»ÊÇ´÷·ò 2026-04-02 14/700 2026-04-03 09:42 by À¶ÔÆË¼Óê
[¿¼ÑÐ] µ÷¼Á +3 osbbx 2026-04-02 3/150 2026-04-03 07:47 by cc8418
[¿¼ÑÐ] ½»Í¨ÔËÊ俼ÊÔ264·ÖÇ󹤿Ƶ÷¼Á +4 jike777 2026-04-02 4/200 2026-04-02 21:53 by zllcz
[¿¼ÑÐ] 270µ÷¼Á +7 maxjxbsk 2026-04-02 7/350 2026-04-02 09:50 by yulian1987
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û