24СʱÈÈÃŰæ¿éÅÅÐаñ    

±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 673  |  »Ø¸´: 6
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

chiweijie

½û³æ (ÖøÃûдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

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

chiweijie

½û³æ (ÖøÃûдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

3Â¥2014-08-26 14:19:40
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 7 ¸ö»Ø´ð

kjsun

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
zhou2009: ½ð±Ò+2 2014-08-26 14:04:47
chiweijie: ½ð±Ò+10, ¡ï¡ï¡ïºÜÓаïÖú 2014-08-26 14:19:49
Â¥Ö÷¸ù±¾Ã»ËµÇå³þÎÊÌâ¡£
1.¶þ¾ÛÎïµÄ½á¹¹ÊDz»ÊÇÒÑÖªµÄ£¿Èç¹ûÊǽṹÒÑÖª£¬ÄǾÍÊÇÒ»¸öÇó·Ö×ÓÖÐÐĵÄÊýѧÎÊÌâ¡£Èç¹û²»¿¼ÂÇÔ­×ÓÖÊÁ¿µÄ¹±Ï× ·Ö×ÓµÄÖÐÐÄÊǸ÷¸öÔ­×ÓµÄ×ø±ê¼ÓºÍ³ýÒÔÔ­×ÓµÄÊýÄ¿Ç󯽾ùÖµ¡£Èç¹û¿¼ÂÇÔ­×ÓÖÊÁ¿ÖÐÐÄ£¬ÊǸ÷¸öÔ­×ÓµÄ×ø±ê¡Á¶ÔÓ¦Ô­×ÓÖÊÁ¿¼ÓºÍ³ýÕⲿ·ÖµÄ·Ö×ÓÖÊÁ¿¡£
2.Èç¹û½á¹¹Î´Öª£¬ÄǾÍÒªÏȵõ½Õâ¸ö¶þ¾ÛÎïµÄ½á¹¹¡£Õâ¸öÄܼÆËãµÄÈí¼þ¾Í¶àÁË£¬±ÈÈçGaussian¾Í¿ÉÒÔ,µ±È»Èí¼þ²»Í¬£¬Ëã·¨²»Í¬£¬½á¹ûÒ²²»Ì«Ò»Ñù¡£ÓÃÈí¼þÓÅ»¯ÍêÕâ¸ö½á¹¹Ö®ºó£¬¾Í¿ÉÒÔÇóÖÐÐľàÀëÁË£¨¼û1£©
2Â¥2014-08-26 12:32:08
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sobereva

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

±¾ÈËÒÑÓÀ¾ÃÀ뿪Сľ³æ


Multiwfn (http://multiwfn.codeplex.com)µÄÖ÷¹¦ÄÜ100ÀïµÄ21¿ÉÒÔ¸ø³öÑ¡¶¨²¿·ÖÔ­×ÓµÄÖÊÐÄ¡£Òò´ËÄã¼ÆËãÁ½¸öµ¥ÌåµÄÖÊÐÄ×ø±ê£¬È»ºóÊÖ¶¯Çó¶þÕߵľàÀë¼´¿É¡£
.pdb¡¢.xyz¡¢.wfnµÈMultiwfnÖ§³ÖµÄÇÒº¬ÓÐÔ­×Ó×ø±êµÄÎļþ¶¼¿ÉÒÔ×÷ΪÊäÈëÎļþ

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

5Â¥2014-08-26 18:22:54
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

chiweijie

½û³æ (ÖøÃûдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

6Â¥2014-08-26 19:06:05
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 291Çóµ÷¼Á +12 hhhhxn.. 2026-03-23 18/900 2026-03-27 17:41 by ditto77778
[¿¼ÑÐ] Ò»Ö¾Ô¸ Î÷±±´óѧ ×Ü·Ö282 Ó¢ÓïÒ»62 Çóµ÷¼Á +7 18419759900 2026-03-25 8/400 2026-03-27 16:38 by 18419759900
[¿¼ÑÐ] 299Çóµ÷¼Á +6 àÅàÅàÅàÅ2 2026-03-27 6/300 2026-03-27 12:43 by ¹û¹ûÂèßä
[¿¼ÑÐ] 22408 359·Öµ÷¼Á +3 Qshers 2026-03-27 3/150 2026-03-27 12:22 by wxiongid
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +8 @taotao 2026-03-21 8/400 2026-03-27 11:21 by wangjy2002
[˶²©¼ÒÔ°] ±±¾©ÁÖÒµ´óѧ˶µ¼ÕÐÉú¹ã¸æ +6 kongweilin 2026-03-26 8/400 2026-03-27 10:18 by FF_16
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-27 3/150 2026-03-27 10:17 by guoweigw
[¿¼ÑÐ] 317Çóµ÷¼Á +7 µ°»ÆÏÌÈâôÕ 2026-03-26 7/350 2026-03-27 02:29 by fmesaito
[¿¼ÑÐ] »¯Ñ§¹¤³Ì085602 305·ÖÇóµ÷¼Á +17 RichLi_ 2026-03-25 17/850 2026-03-26 19:44 by plmuchong
[¿¼ÑÐ] »úеѧ˶310·Ö£¬ÊýÒ»Ó¢Ò»£¬Ò»Ö¾Ô¸211±¾¿ÆË«·ÇÕÒµ÷¼ÁÐÅÏ¢ +3 @357 2026-03-25 3/150 2026-03-26 16:34 by by.MENG
[¿¼ÑÐ] 0856Çóµ÷¼Á +8 zhn03 2026-03-25 9/450 2026-03-26 13:42 by zzll406
[¿¼ÑÐ] 291 Çóµ÷¼Á +7 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 8/400 2026-03-26 11:25 by AlenQIN.
[¿¼ÑÐ] µ÷¼Á310 +3 ÎÂÈáµÄÍí°² 2026-03-25 4/200 2026-03-25 23:16 by peike
[¿¼ÑÐ] 303Çóµ÷¼Á +6 À¶É½Ô 2026-03-25 6/300 2026-03-25 22:47 by 418490947
[¿¼ÑÐ] 293Çóµ÷¼Á +7 ¼ÓÒ»Ò»¾Å 2026-03-24 7/350 2026-03-25 12:02 by userper
[¿¼ÑÐ] 086003ʳƷ¹¤³ÌÇóµ÷¼Á +6 íµíµ111 2026-03-24 6/300 2026-03-25 10:29 by 3Strings
[¿¼ÑÐ] 0703»¯Ñ§Çóµ÷¼Á +6 ÄÌÓͲÝÝ®. 2026-03-22 7/350 2026-03-25 10:00 by shangxh
[¿¼ÑÐ] Çóµ÷¼Á +7 Ê®Èý¼ÓÓÍ 2026-03-21 7/350 2026-03-23 23:48 by ÈÈÇéɳĮ
[¿¼ÑÐ] 276Çóµ÷¼Á +3 YNRYG 2026-03-21 4/200 2026-03-23 08:31 by ×íÔÚ·çÀï
[¿¼ÑÐ] 336Çóµ÷¼Á +5 rmc8866 2026-03-21 5/250 2026-03-21 17:24 by ѧԱ8dgXkO
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û