±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2950  |  »Ø¸´: 31
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

[½»Á÷] ¡¾ÆäËû¡¿Ò»¸öƯÁÁµÄ·Ö×Ó

GaussView4.12»­·Ö×ӽṹ£¬´æ³ÉMol¸ñʽ
ÔÚMS4.3¸ü¸ÄÏÔʾЧ¹û
ChemDraw12.0»­Ê¾Òâͼ
Photoshop CS3ÕûºÏ

ŪÍêÁË£¬Ð¡ÀϰåÕýºÃ¾­¹ý£¬Ð¦»°ÎÒ¡°Ïеõ°ÌÛ¡±

[ Last edited by yjcmwgk on 2009-11-13 at 16:15 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

psfan

Ìú³æ (ÕýʽдÊÖ)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjcmwgk(½ð±Ò+1,VIP+0):¶Ô 8-29 14:05
ÊÇÓÃ߲߸ÅäºÏÎïÑо¿×Ô×é×°·Ö×ÓÆ÷¼þô£¿
3Â¥2009-08-29 13:54:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 32 ¸ö»Ø´ð

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï
loovfnd(½ð±Ò+1,VIP+0):ͦºÃ¿´µÄ 8-29 19:59
ÓÖÕûÁËÒ»¸ö£¬Ð¡Àϰå˵¡°ÍêÈ«²»ÊµÓ㬱𳶶¿×ÓÁË£¬¿´ÎÄÏ×È¥£¡¡±
2Â¥2009-08-29 11:24:33
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ZJboy

ľ³æ (ÖøÃûдÊÖ)

¡ï
loovfnd(½ð±Ò+1,VIP+0):лл²ÎÓ룡 8-29 20:00
ÇëÎÊÊÇ·ñÓжÔÕâЩ·Ö×Ó½øÐÐÀíÂÛ¼ÆË㣿Èç¹ûÓеϰ£¬ÓÃʲôÈí¼þ¼°·½·¨£¿Ð»Ð»¡£
4Â¥2009-08-29 16:59:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡ï
loovfnd(½ð±Ò+1,VIP+0):ллѧÊõ½»Á÷! 8-29 20:00
ÒýÓûØÌû:
Originally posted by ZJboy at 2009-8-29 16:59:
ÇëÎÊÊÇ·ñÓжÔÕâЩ·Ö×Ó½øÐÐÀíÂÛ¼ÆË㣿Èç¹ûÓеϰ£¬ÓÃʲôÈí¼þ¼°·½·¨£¿Ð»Ð»¡£

È«ÓÃGaussian¡£ÏȶԵ¥Ìå½øÐÐDFT¼ÆË㡣Ȼºó¶³½áµ¥ÌåµÄ½á¹¹£¬×öQM/MMµÄoniom¼ÆËã¡£ÓÐʱºò»¹»áÓÃPM3MM·½·¨

ÎÒÖ÷Òª²»×öÕâÖÖ¼ÆËã¡£ÎÒʦµÜ×öµÃ¶à¡£ÎÒÖ÷ÒªÊÇС·Ö×Ӹ߾«¶È¼ÆËã

[ Last edited by yjcmwgk on 2009-8-29 at 17:22 ]
6Â¥2009-08-29 17:20:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 329Çóµ÷¼Á +15 miaodesi 2026-04-02 17/850 2026-04-05 09:13 by İÇï26
[¿¼ÑÐ] 283Çóµ÷¼Á +10 A child 2026-04-04 10/500 2026-04-05 08:22 by qlm5820
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤085600 310·ÖÇóµ÷¼Á +9 0856²ÄÁÏÓ뻯¹¤3 2026-04-04 11/550 2026-04-05 05:22 by houyaoxu
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ£¬³õÊԳɼ¨350Çóµ÷¼Á +9 ÑØ°¶?±´¿Ç 2026-04-04 14/700 2026-04-05 01:09 by ÑØ°¶?±´¿Ç
[¿¼ÑÐ] µ÷¼Á +4 ÊÇ¿ÉÀÖ²»ÊÇ¿ÉÀÖ 2026-04-04 4/200 2026-04-04 19:41 by ÌÆãå¶ù
[¿¼ÑÐ] ¿¼ÑÐÉúÎïѧ¿¼AÇø211£¬³õÊÔ322£¬¿ÆÄ¿Éú»¯ºÍÉúÎï×ۺϣ¬Çóµ÷¼Á +4 ¡£¡£¡£54 2026-04-03 4/200 2026-04-04 16:09 by dongzh2009
[¿¼ÑÐ] 26µ÷¼Á 086003 +6 ʧ»îµÄϸ°û 2026-04-04 6/300 2026-04-04 09:50 by zhangdingwa
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[¿¼ÑÐ] 285Çóµ÷¼Á +5 AZMK 2026-04-03 8/400 2026-04-03 18:17 by AZMK
[¿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] ²ÄÁÏר˶322·Ö +13 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 13/650 2026-04-03 16:08 by ŶŶ123
[¿¼ÑÐ] 282Çóµ÷¼Á +5 ºôÎü¶¼ÊǼõ·Ê 2026-03-31 5/250 2026-04-03 12:03 by 1753564080
[¿¼ÑÐ] ר˶ 351 086100 Ò²ÊÇ¿¼µÄ²Ä¿Æ»ù ±¾¿ÆÒ²ÊDzÄÁÏ +8 202451007219 2026-04-02 8/400 2026-04-03 09:50 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 270Çóµ÷¼Á +8 С½Üpp 2026-03-31 10/500 2026-04-02 12:57 by yulian1987
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +12 Ò»ÑùYWY 2026-04-01 12/600 2026-04-02 00:21 by °ÙÃë¹âÄê
[¿¼ÑÐ] 353Çóµ÷¼Á +4 À­¹³²»Ðí±ä 2026-04-01 4/200 2026-04-01 18:10 by ¼Çʱ¾2026
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©¿¼Ñе÷¼Á +5 Ìúº©º©123425 2026-03-31 5/250 2026-04-01 18:01 by syh9288
[˶²©¼ÒÔ°] ¿¼Ñе÷¼Á +5 ÂæÍÕÄÐÈË 2026-04-01 5/250 2026-04-01 14:28 by syjjj0321
[˶²©¼ÒÔ°] ²©Ò»±»ËͳöÁªÅà¸Ð¾õ²»ÊÊÓ¦Ôõô°ì +3 È«´åµÄ¹· 2026-03-31 3/150 2026-04-01 10:44 by 328838485
[¿¼ÑÐ] Çóµ÷¼Á +10 ¼Ò¼Ñ¼Ñ¼Ñ¼Ñ¼Ñ 2026-03-29 10/500 2026-03-30 18:34 by 544594351
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û