²é¿´: 632  |  »Ø¸´: 3
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

huilovezhe

½ð³æ (СÓÐÃûÆø)

[ÇóÖú] ¿¨±ö³É¼ü±íÕ÷

´ó¼ÒºÃ£¬ÎÒÏëÎÊһϣ¬Óøß˹ÄܱíÕ÷ÊÇÊÇ¿¨±ö³É¼ü»¹ÊÇÖ±½Ó³É¼üÂ𣿿ÉÄܲ»×¨Òµ£¬Ð»Ð»´ó¼Ò~
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

huilovezhe

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by yongleli at 2013-03-01 12:37:47
ÇëÔĶÁÕâÆªÎÄÏ×£º
Mayer, I. J. Comput. Chem. 2007, 28, 204.
ÓÃGaussian³ÌÐò¼ÆËãµÃµ½²¨º¯Êý£¬ÅäºÏ
Sobereva°æÓÑ¿ª·¢µÄpopulationÈí¼þMultiwfn
Ó¦¸Ã¿ÉÒÔ½â¾öÄãµÄÎÊÌâ¡£

ÎÒ²»ÊÇÌØ±ðµÄµÄ¶®£¬ÎÒ¶ÔÓÅ»¯µÄ½á¹¹×öÁËNBO£¬¼ÆËãÁ˹ìµÀ£¬ºÍ¼üºÍÖ¸ÊýµÈ¡£ÊDz»ÊÇÎÒ¼ÆËã³öËûµÄ*.wfxÎļþÈ»ºóÓÃMultiwfnÈí¼þ¿ÉÊÓ»¯£¬È»ºóÎÒÓ¦¸Ã¿´Ê²Ã´²ÎÊý£¬ÒòΪMultiwfnÓкܶàÏîÂï¡£Âé·³ÄúÁË£¬Äܹ»¸øÎÒ˵µÄ¾ßÌåµãÂð£¿
3Â¥2013-03-01 14:24:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

yongleli

ľ³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+3 2013-03-01 13:33:05
huilovezhe: ½ð±Ò+5, ¡ï¡ï¡ï¡ï¡ï×î¼Ñ´ð°¸, ·Ç³£¸Ðл~ 2013-03-01 14:25:52
ÇëÔĶÁÕâÆªÎÄÏ×£º
Mayer, I. J. Comput. Chem. 2007, 28, 204.
ÓÃGaussian³ÌÐò¼ÆËãµÃµ½²¨º¯Êý£¬ÅäºÏ
Sobereva°æÓÑ¿ª·¢µÄpopulationÈí¼þMultiwfn
Ó¦¸Ã¿ÉÒÔ½â¾öÄãµÄÎÊÌâ¡£
2Â¥2013-03-01 12:37:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yongleli

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
3Â¥: Originally posted by huilovezhe at 2013-03-01 14:24:59
ÎÒ²»ÊÇÌØ±ðµÄµÄ¶®£¬ÎÒ¶ÔÓÅ»¯µÄ½á¹¹×öÁËNBO£¬¼ÆËãÁ˹ìµÀ£¬ºÍ¼üºÍÖ¸ÊýµÈ¡£ÊDz»ÊÇÎÒ¼ÆËã³öËûµÄ*.wfxÎļþÈ»ºóÓÃMultiwfnÈí¼þ¿ÉÊÓ»¯£¬È»ºóÎÒÓ¦¸Ã¿´Ê²Ã´²ÎÊý£¬ÒòΪMultiwfnÓкܶàÏîÂï¡£Âé·³ÄúÁË£¬Äܹ»¸øÎÒ˵µÄ¾ßÌåµãÂ𣿠...

ÎÒû×ö¹ýÄãµÄÌåϵ£¬ËùÒÔÖ»ÄܸøÄã´ó·½ÏòµÄÌáʾ¡£
¾ßÌåµÄÄãÒª¿´±ðÈ˵ÄÎÄÏס£±Ï¾¹ÄÜÈÃÄã×öµÄÌåϵ¿Ï¶¨¶¼ÊÇÓÐǰÈË×ö¹ýºÜ¶à¹¤×÷µÄ¡£ÄãÒªÕÒ¿¨±öµÄÌØÕ÷²ÎÊý¡£ÕâÓеãÀàËÆÓÚÔÚÒ»ÕźìÍâÆ×ÀïÕÒÌØÕ÷·å¡£×£ÄãºÃÔ˰ɡ£
4Â¥2013-03-02 00:58:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ¹ú×ÔÈ»ÆÀÉóÒâ¼û +7 wangmingqi 2026-08-28 8/400 2026-08-28 18:42 by zhuzg0628
[»ù½ðÉêÇë] ϵͳ²é²»µ½ +11 ¶­°Ëǧ 2026-08-26 11/550 2026-08-28 18:06 by Leogzhya
[»ù½ðÉêÇë] »ù½ð²»ÖУ¬¹²Ãã +11 eulota 2026-08-26 11/550 2026-08-28 14:22 by »ðÐdz¬ÈËxi
[»ù½ðÉêÇë] 2026ÄêÒ¶ÆóËï»ù½ð +3 bud_bud 2026-08-27 6/300 2026-08-28 11:53 by bud_bud
[»ù½ðÉêÇë] »ù½ðϵͳʲôÄÚÈÝҲûÓÐ 30+4 winsaint 2026-08-27 9/450 2026-08-28 11:06 by maolC
[»ù½ðÉêÇë] Ôõô²é°¡ +6 huang1991js 2026-08-26 6/300 2026-08-28 08:42 by winsaint
[»ù½ðÉêÇë] ÄÄλ¸ßÈËÖÐÁË£¬°Ñ²éѯµ½µÄ½ØÍ¼Ìù³öÀ´ÈÃÎÒ¿´¿´£¬ÈÃÎÒ³¤³¤¼ûʶ +5 yuleib84 2026-08-26 6/300 2026-08-28 00:02 by yudaoqian88
[»ù½ðÉêÇë] ÃæÉϺÏ×÷µ¥Î»¸ÇÕ +5 ssyjh 2026-08-27 5/250 2026-08-27 20:50 by gdfollow
[»ù½ðÉêÇë] ÉêÇëɾ³ý±¾Ìû +6 lyz123lyz 2026-08-27 7/350 2026-08-27 17:31 by Äþ¾²ÖÂÔ¶sy
[»ù½ðÉêÇë] »ù½ðδÖУ¬ÕâÖÖ´ð¸´ÊÇÄ£°åÂ𣿠+5 zhaosm1982 2026-08-27 6/300 2026-08-27 16:00 by lfy8008
[»ù½ðÉêÇë] Ôõô¿´Çà»ùÖÐÁËûÓа¡ +5 Ò¶¾Å΢ 2026-08-26 5/250 2026-08-27 10:35 by l_zh2008
[»ù½ðÉêÇë] Ϊʲô ¹ú¼Ê(µØÇø)ºÏ×÷Óë½»Á÷ÏîÄ¿ ûÓзŰñ£¿ 10+3 majunge000 2026-08-26 11/550 2026-08-27 08:42 by ±±¾©À³Òð±à¼­
[»ù½ðÉêÇë] ÎÒ²»Àí½â£¡ +15 Edward_pc 2026-08-26 23/1150 2026-08-26 20:34 by zzuzxg
[»ù½ðÉêÇë] ¹ú¼ÊºÏ×÷¿É²éÁË£¬ÖÐÁËÃæÉÏ (EPI+1)(½ð±Ò+50) +18 Ldrop2023 2026-08-26 18/900 2026-08-26 11:15 by cmrandy
[»ù½ðÉêÇë] ϵͳ½ø²»È¥ +4 yanglien 2026-08-26 5/250 2026-08-26 11:10 by wenfengw83
[»ù½ðÉêÇë] ¹úºÏ¿É²éÁË +3 paperzjh 2026-08-26 3/150 2026-08-26 10:41 by LemmonTr
[Ö°³¡ÈËÉú] ѧÉúײ¼û¸¨µ¼Ô±ËÍÍâÂô£¬µÚ¶þÌìÈ«°à¶¼³ÁĬÁË +3 ¾¨ÓãÈÚ½ð_Õã½­_É 2026-08-22 3/150 2026-08-26 09:01 by zzuzxg
[»ù½ðÉêÇë] Èç¹û´Ë¿ÌÄãÕýÔÚΪ¹ú»ù¸Ðµ½½¹ÂÇ£¬²»·ÁÀ´ÌýÌýÕâÊס¶»ù½ðÖ®Íâ¡· +8 scalable 2026-08-24 8/400 2026-08-25 12:52 by jnhyjjm
[»ù½ðÉêÇë] ûÓÐÈκÎÏûÏ¢-ÊDz»ÊǾÍÁ¹ÁË +9 ͼÀ²Í¼À² 2026-08-24 10/500 2026-08-25 11:59 by ÄϺ£Ð¡¸ç
[½Ìʦ֮¼Ò] Ìø²ÛºóÔÚÑÐÏîÄ¿Ôõô°ì£¿ +5 ¼òµ¥»¯xn 2026-08-22 10/500 2026-08-23 12:38 by ¼òµ¥»¯xn
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û