±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 646  |  »Ø¸´: 5
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£

zhanping

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿¹ØÓÚgaussianƵÂʼÆËãµÄ½ÃÕýÎÊÌâ

´ÓÌû×ÓÀïÏÂÁËÒ»¸öƵÂʽÃÕýÒò×Ó£¬²»ÖªÊÇ·ñ²»È«£¬ÎÒÓõÄÄǸö»ù×é¾ÍûÓнÃÕýÒò×Ó£¨¶àÁ˸öÃÖÉ¢º¯Êý£©£¬ÇëÎÊÓбðµÄ°ì·¨Ã»£¿ÒªºÍʵÑé±È½ÏµÄ¡£
  ps£ºÆµÂʼÆËãÓÐûÓмÆËãÕýÈ·µÄ±ê×¼£¿
   Ð»Ð»£¡
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
GrasaVampiro(½ð±Ò+5,VIP+0): 12-21 11:12
ÒýÓûØÌû:
Originally posted by zhanping at 2009-12-15 21:43:
´ÓÌû×ÓÀïÏÂÁËÒ»¸öƵÂʽÃÕýÒò×Ó£¬²»ÖªÊÇ·ñ²»È«£¬ÎÒÓõÄÄǸö»ù×é¾ÍûÓнÃÕýÒò×Ó£¨¶àÁ˸öÃÖÉ¢º¯Êý£©£¬ÇëÎÊÓбðµÄ°ì·¨Ã»£¿ÒªºÍʵÑé±È½ÏµÄ¡£
  ps£ºÆµÂʼÆËãÓÐûÓмÆËãÕýÈ·µÄ±ê×¼£¿
   Ð»Ð»£¡

2Â¥2009-12-16 09:05:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zindo

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjcmwgk(½ð±Ò+1,VIP+0): 12-18 13:47
²Î¿¼ÕâÆªÎÄÏ׿´¿´£¬ÊÇ·ñÓÐÄãÐèÒªµÄУÕýÒò×Ó¡£
Jeffrey P. Merrick, Damian Moran, and Leo Radom. J. Phys. Chem. A 2007, 111, 11683-11700
3Â¥2009-12-16 10:27:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhanping

½ð³æ (ÕýʽдÊÖ)

°æÖ÷ÐÁ¿àÁË£¡ÆäʵÎÒϵľÍÊÇÕâ¸ö¡£
  ÓõÄÊÇ # b3lyp/ 6-311+G*
   ÊÇÎÒ²»¶Ô£¬Ã»ÏÈ˵Çå¡£
   Ò²Ð»Ð»zindo!
   Ö»ÊÇÔÚÕâÖÖÇé¿öÏÂÔõô°ì£¿

[ Last edited by zhanping on 2009-12-16 at 23:18 ]
4Â¥2009-12-16 23:12:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhanping

½ð³æ (ÕýʽдÊÖ)

ûÈËÀíÁË£¿
5Â¥2009-12-18 09:17:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zindo

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
¿ÉÒÔÓÃÓëÖ®½Ï½üµÄ£¬ÓбØÒªµÄ˵Ã÷¾Í¿ÉÒԵġ£
6Â¥2010-01-02 11:24:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ zhanping µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¿¼Ñе÷¼Á +10 СsunÒªºÃÔË 2026-04-04 10/500 2026-04-04 23:14 by lqwchd
[¿¼ÑÐ] 316Çóµ÷¼Á +9 Ä«³½_Orion926 2026-04-04 9/450 2026-04-04 21:35 by lbsjt
[¿¼ÑÐ] 321Çóµ÷¼Á +6 ÈÏÕæÇóÉÏѧ 2026-04-03 6/300 2026-04-04 19:51 by dongzh2009
[¿¼ÑÐ] 359Çóµ÷¼Á +7 hhhhaaaa$ 2026-04-04 7/350 2026-04-04 18:49 by imissbao
[¿¼ÑÐ] µ÷¼Á +7 ÐܶþÏëÉϰ¶ 2026-04-04 7/350 2026-04-04 16:16 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸ÉϺ£º£Ñó´óѧ083200ʳƷѧ˶£¬Çóµ÷¼Á£¬½ÓÊÜÆäËûרҵ083200 +3 whatÕÅ 2026-04-04 4/200 2026-04-04 09:50 by rzh123456
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 15615482637 2026-04-03 3/150 2026-04-03 22:50 by ms629
[¿¼ÑÐ] 311Çóµ÷¼Á +11 Ó¸ҵÄСÎâ 2026-04-02 11/550 2026-04-03 21:46 by qlm5820
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ò»Ö¾Ô¸ºþÄÏ´óѧÇóµ÷¼Á +3 À¶¼ãƬ 2026-04-03 4/200 2026-04-03 17:58 by Jimmyandyou
[¿¼ÑÐ] µ÷¼ÁÇóÖú +8 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-02 11/550 2026-04-03 14:16 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 085600ר˶²ÄÁÏÓ뻯¹¤348·ÖÇóµ÷¼Á +10 ÉÏѧÀ²£¡ 2026-04-01 11/550 2026-04-03 14:13 by °ÙÁéͯ888
[¿¼ÑÐ] Ò»Ö¾Ô¸Öйú¿ÆÑ§Ôº´óѧ265Çóµ÷¼Á +9 Ìñµ­ye 2026-03-31 10/500 2026-04-03 11:10 by txp1986
[»ù½ðÉêÇë] ÇëÎʹ²Í¬Í¨Ñ¶ºÍ¹²Í¬Ò»×÷µÄÈϿɶÈÎÊÌâ 10+4 psa1234 2026-04-01 10/500 2026-04-03 11:08 by Kittylucky
[¿¼ÑÐ] 286Çóµ÷¼Á +7 Faune 2026-03-30 7/350 2026-04-03 10:14 by linyelide
[¿¼ÑÐ] 262Çóµ÷¼Á +6 ÀøÖ¾Ò»¶¨·¢ÎÄÕ 2026-04-02 7/350 2026-04-03 09:54 by linyelide
[¿¼ÑÐ] 302Çóµ÷¼Á +9 zyxÉϰ¶£¡ 2026-04-02 9/450 2026-04-02 23:07 by Âí¶ù¿ì¿ìµØÅÜ
[¿¼ÑÐ] »¯Ñ§070300-×Ü·Ö378-Çóµ÷¼Á +5 ŲÒÎ×ÓµÄÅÝÅÝÌÇ 2026-04-02 5/250 2026-04-02 22:20 by ZXlzxl0425
[¿¼ÑÐ] 354Çóµ÷¼Á +4 lxb598 2026-03-31 5/250 2026-04-02 09:55 by Jaylen.
[¿¼ÑÐ] Çóµ÷¼Á +4 ͼ¼ø212 2026-03-30 5/250 2026-04-01 15:32 by ͼ¼ø212
[¿¼ÑÐ] ±§Ç¸ +3 ÌïºéÓÐ 2026-03-30 3/150 2026-03-30 19:11 by ÃÔºýCCPs
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û