²é¿´: 2162  |  »Ø¸´: 9
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

liuyusuc

½û³æ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

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

sobereva

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

±¾ÈËÒÑÓÀ¾ÃÀ뿪Сľ³æ


¡ï ¡ï
zhou2009(½ð±Ò+2): 2011-08-18 18:25:14
×ÔÐýÃܶÈÓÃgview¾Í¿ÉÒÔ»æÖÆ¡£
Multiwfn (multiwfn.codeplex.com)¼È¿ÉÒÔ»æÖÆ×ÔÐýÃܶÈͼҲ¿ÉÒÔ»æÖÆELF/LOLͼ£¬ÔÚÆäÊÖ²áÀïÓÐʵÀý¡£ÐèÒªÔØÈë¸ß˹µÈ³ÌÐòÊä³öµÄ²¨º¯Êý¡£
ÎÒÔÚÂÛ̳Àï·¢µÄ¡¶µç×Ó¶¨ÓòÐÔµÄͼÐηÖÎö¡·Ò²¿ÉÒÔ×÷Ϊ²Î¿¼
9Â¥2011-08-18 02:47:10
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

quantumor

½ð³æ (ÖøÃûдÊÖ)

¿ìÀÖÍÃ×Ó

¡ï ¡ï
gmy1990(½ð±Ò+2): 2011-08-14 23:17:49
zhou2009:±à¼­ÄÚÈÝ 2011-08-15 14:28
Èç¹ûÓÃGaussian¼ÆËãµÄ»°£¬ÀíÂÛÉϲ»¿ÉÄܵóöËùν¡°×¼È·µÄ×ÔÓÉ»ùλÖá±£¬ÒòΪÈç¹ûʹÓ÷Ö×Ó¹ìµÀÀíÂÛ£¬Ôòµç×Ó·Ö²¼¶¼ÊÇÀëÓòµÄ£¬¼ÆËã½á¹ûÖлù±¾Éϲ»¿ÉÄܳöÏÖÏñÓлú½Ì¿ÆÊéÉÏËù±êʾµÄÄÇÑù£¬ÔÚij¸öÔ­×ÓÉϸøÄãÒ»¸öµãÀ´±íʾһ¸öµ¥µç×Ó£¨×ÔÓÉ»ù£©µÄ´æÔÚ£¬ÎÒÃǶÔÕâÖÖµãµÄÆÚÍû¶¼Óлú½Ì¿ÆÊ麦µÄ¡£
µ«ÊÇ£¬´óÖ¹À¼Æµ¥µç×ÓµÄÖ÷Òª·Ö²¼ÇøÓò»¹ÊÇ¿ÉÒԵġª¡ªµç¸ºÐԽϴóµÄÔ­×ÓÉϳöÏֽϴóµÄµ¥µç×Ó×ÔÐýÃܶȵĿÉÄÜÐԽϴó£¬ÕâҪͨ¹ý¼ÆËã²ÅÄܵóö¡£

[ Last edited by zhou2009 on 2011-8-15 at 14:28 ]
Ô¸ºÃÔËÓë¿ìÀÖ°éËæÄ㣡
2Â¥2011-08-14 09:42:56
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

quantumor

½ð³æ (ÖøÃûдÊÖ)

¿ìÀÖÍÃ×Ó

µÚ¶þÐеġ°¶¼¡±×ÖºóÃæÓ¦¼ÓÒ»¸ö¡°ÊÇ¡±×Ö¡£
Ô¸ºÃÔËÓë¿ìÀÖ°éËæÄ㣡
3Â¥2011-08-14 09:44:34
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liuyusuc

½û³æ (ÕýʽдÊÖ)

±¾ÌûÄÚÈݱ»ÆÁ±Î

4Â¥2011-08-15 12:29:39
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸ËÕÖÝ´óѧ²ÄÁÏÇóµ÷¼Á£¬×Ü·Ö315£¨Ó¢Ò»£© +3 sbdksD 2026-03-19 3/150 2026-03-19 23:21 by fmesaito
[¿¼ÑÐ] ÄÜÔ´²ÄÁÏ»¯Ñ§¿ÎÌâ×éÕÐÊÕ˶ʿÑо¿Éú8-10Ãû +4 ÍÑÓ±¶ø³ö 2026-03-16 12/600 2026-03-19 16:17 by ÍÑÓ±¶ø³ö
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»Í¨´óѧ²ÄÁϹ¤³Ìרҵ 282·ÖÇóµ÷¼Á +5 ·ãÇÅZL 2026-03-18 7/350 2026-03-19 14:52 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] 317Çóµ÷¼Á +3 Éê×ÓÉêÉê 2026-03-19 6/300 2026-03-19 14:16 by Éê×ÓÉêÉê
[¿¼ÑÐ] Ò»Ö¾Ô¸Ìì´ó²ÄÁÏÓ뻯¹¤£¨085600£©×Ü·Ö338 +5 ²Ì´óÃÀÅ® 2026-03-13 5/250 2026-03-19 10:44 by ÊÇСÁõѽ¡«
[¿¼ÑÐ] 298-Ò»Ö¾Ô¸Öйúũҵ´óѧ-Çóµ÷¼Á +7 ÊÖ»úÓû§ 2026-03-17 7/350 2026-03-18 14:34 by vgtyfty
[¿¼ÑÐ] ÊÕ¸´ÊÔµ÷¼ÁÉú +4 ÓêºóÇïºÉ 2026-03-18 4/200 2026-03-18 14:16 by elevennnne
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] 268Çóµ÷¼Á +8 Ò»¶¨ÓÐѧÉÏ- 2026-03-14 9/450 2026-03-17 17:47 by laoshidan
[¿¼ÑÐ] 301Çóµ÷¼Á +4 A_JiXing 2026-03-16 4/200 2026-03-17 17:32 by ruiyingmiao
[˶²©¼ÒÔ°] ºþ±±¹¤Òµ´óѧ ÉúÃü¿ÆÑ§Ó뽡¿µÑ§Ôº-¿ÎÌâ×éÕÐÊÕ2026¼¶Ê³Æ·/ÉúÎï·½Ïò˶ʿ +3 1ϲ´º8 2026-03-17 5/250 2026-03-17 17:18 by ber´¨cool×Ó
[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +3 zhouzhen654 2026-03-16 3/150 2026-03-17 07:03 by laoshidan
[¿¼ÑÐ] 318Çóµ÷¼Á +3 Yanyali 2026-03-15 3/150 2026-03-16 16:41 by houyaoxu
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á 290·ÖÓпÆÑо­Àú£¬ÂÛÎÄÔÚͶ +7 ÄåÄågk 2026-03-14 7/350 2026-03-16 10:12 by houyaoxu
[¿¼ÑÐ] 326Çóµ÷¼Á +3 mlpqaz03 2026-03-15 3/150 2026-03-16 07:33 by Iveryant
[¿¼ÑÐ] 294Çóµ÷¼Á +3 Zys010410@ 2026-03-13 4/200 2026-03-15 10:59 by zhq0425
[¿¼ÑÐ] 297Ò»Ö¾Ô¸ÉϽ»085600Çóµ÷¼Á +5 Ö¸¼â°ËǧÀï 2026-03-14 5/250 2026-03-14 17:26 by a²»Ò×
[¿¼ÑÐ] ÕÐÊÕ0805£¨²ÄÁÏ£©µ÷¼Á +3 18595523086 2026-03-13 3/150 2026-03-14 00:33 by 123%¡¢
[¿¼ÑÐ] 304Çóµ÷¼Á +7 7712b 2026-03-13 7/350 2026-03-13 21:42 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û