²é¿´: 2520  |  »Ø¸´: 9

tiechong

½ð³æ (ÖøÃûдÊÖ)


[½»Á÷] »¯Ñ§¼ü¶ÔÓ¦µÄAIM¼üÁÙ½çµãÕÒ²»×Å

ÓÃmp2µÄ²¨º¯Êý£¬Ò»¸öºÜÃ÷ÏԵĹ²¼Û¼ü¶ÔÓ¦µÄAIM¼üÁÙ½çµãÕÒ²»×ÅÁË
Èç¹ûÓÃdftµÄ²¨º¯Êý£¬Ò»Çж¼Õý³££¬ºÜÃ÷ÏÔµÄAIM¼üÁÙ½çµã
²»½â°¡²»½â°¡
ÊÔÁ˺ü¸¸ö²»Í¬µÄAIMÈí¼þ£¬¶¼ÊÇÒ»Ñù
Õ¦½âÊͰ¡£¿£¿£¿£¿

»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¸ß˹¼ÆËã×ܽá

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï ¡ï ¡ï
tiechong(½ð±Ò+1): лл²ÎÓë
gmy1990: ½ð±Ò+2 2012-03-30 12:21:04
Èç¹ûÓÃÁËecp»ù×飬ÈÝÒ×Óöµ½ÕâÑùµÄÎÊÌâ
2Â¥2012-03-30 10:09:39
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

purplez

гæ (³õÈëÎÄ̳)


¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
tiechong(½ð±Ò+1): лл²ÎÓë
gmy1990: ½ð±Ò+3 2012-03-30 12:21:14
tiechong: ½ð±Ò+5, лл 2012-03-30 21:11:02
AIM ±¾ÉíÀíÂÛ¾ÍÓÐЩÎÊÌ⣬ÔÚһЩÇé¿öÏ£¨ÌرðÊÇÓÐHµÄʱºò£©£¬»áÓз´³£µÄ½á¹û
»¹ÓÐÈËרÃÅÌÖÂÛ¹ý
ÍÆ¼öÄã¿´¿´ÕâЩ¹ØÓÚ·´³£µÄÌÖÂÛ£¬¿ÉÄÜ»áÓаïÖú
ÉõÖÁÄãÈÏΪÈç¹ûÊǺܹؼüµÄ·´³£Çé¿ö£¬ÊÇ¿ÉÒÔ·¢±íÎÄÕµÄ
Chemistry - A European Journal, 2006, 12, 7769.
Chemistry - A European Journal, 2006, 12, 2896.
Chemistry - A European Journal, 2003, 9, 1940.
3Â¥2012-03-30 12:10:55
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

tiechong

½ð³æ (ÖøÃûдÊÖ)


ÒýÓûØÌû:
2Â¥: Originally posted by beefly at 2012-03-30 10:09:39:
Èç¹ûÓÃÁËecp»ù×飬ÈÝÒ×Óöµ½ÕâÑùµÄÎÊÌâ

ûÓà ecp, È«µç×Ó»ú×é
7Â¥2012-03-30 21:09:19
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
tiechong: ½ð±Ò+1 2012-04-03 01:06:50
ÒýÓûØÌû:
7Â¥: Originally posted by tiechong at 2012-03-30 21:09:19:
ûÓà ecp, È«µç×Ó»ú×é

Ò»¿ªÊ¼ÎÒÒ²²ÂÊÇecp£¬Õý´òË㽨ÒéÄãÓÃwfx
ÏÖÔÚ¿´À´ÊÇaim±¾ÉíµÄÎÊÌâÁË
8Â¥2012-03-31 11:11:10
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
zhou2009: ½ð±Ò+5 2012-03-31 17:57:44
tiechong: ½ð±Ò+5 2012-04-03 01:07:01
½¨ÒéÄã»æÖÆÒ»ÏÂÔ¼»¯ÃܶÈÌݶÈ(RDG)µÄµÈÖµÃæÍ¼£¬Óýϸ߾«¶ÈµÄ¸ñµã£¬È»ºóÖð½¥½«isovalueÉèС£¬Öð½¥½Ó½ü0£¬Èç¹ûÔÚÕâ¸ö¹ý³ÌÖеÈÖµÃæÔÚÏàӦλÖÃÊÕÁ²³ÉÒ»¸öµã£¬Ô¼ÔÚisovalue=0ʱ²ÅÍêÈ«Ïûʧ£¬ÄÇô˵Ã÷ÄǸöµãÊÇÁÙ½çµã£¨µç×ÓÃܶÈÌݶȼ¸ºõΪ0£©£¬ºÜ¿ÉÄÜÊÇÓÉÓÚ³ÌÐòËÑË÷É趨²»Ì«ºÏÊʲÅÕÒ²»µ½¡£
¿ÉÒÔÔÚÄǸöλÖø½½üÉ趨´óÁ¿³õ²ÂµãÈ¥ÕÒÁÙ½çµã£¬MultiwfnºÍAIM2000¶¼ÄÜÕâô×ö¡£
9Â¥2012-03-31 14:21:25
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fatpig8832

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)


¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
tiechong: ½ð±Ò+1 2012-04-03 01:07:06
¿ÉÒÔ°ÑAIMµÄCPËÑË÷²½³¤¸ÄСÔÙÊÔÊÔ£¬»òÕß×Ô¼ºÊÖ¶¯ÕÒ£¬²»ÒªÈÃËü×Ô¶¯ÕÒ¡£
10Â¥2012-03-31 14:39:09
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¼òµ¥»Ø¸´
2012-03-30 17:47  
tiechong(½ð±Ò+1): лл²ÎÓë
xuyawei775Â¥
2012-03-30 17:48  
tiechong(½ð±Ò+1): лл²ÎÓë
zq5225266Â¥
2012-03-30 17:48  
tiechong(½ð±Ò+1): лл²ÎÓë
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ tiechong µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ¶«ÄÏ´óѧ364Çóµ÷¼Á +5 JasonYuiui 2026-03-15 5/250 2026-03-16 21:28 by ľ¹Ï¸à
[¿¼ÑÐ] 286Çóµ÷¼Á +3 lemonzzn 2026-03-16 5/250 2026-03-16 20:43 by lemonzzn
[¿¼ÑÐ] 070303 ×Ü·Ö349Çóµ÷¼Á +3 LJY9966 2026-03-15 5/250 2026-03-16 14:24 by xwxstudy
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 327Çóµ÷¼Á +6 ʰ¹âÈÎȾ 2026-03-15 11/550 2026-03-15 22:47 by ʰ¹âÈÎȾ
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶274Ò»Ö¾Ô¸211Çóµ÷¼Á +5 Ñ¦ÔÆÅô 2026-03-15 5/250 2026-03-15 20:38 by Logic2024
[¿¼ÑÐ] 0856²ÄÁÏÓ뻯¹¤309·ÖÇóµ÷¼Á +6 ZyZy¡­¡­ 2026-03-10 6/300 2026-03-14 00:38 by JourneyLucky
[¿¼ÑÐ] 271Çóµ÷¼Á +10 ÉúÈçÏÄ»¨¡­ 2026-03-11 10/500 2026-03-14 00:35 by Âô±¨Ô±Ð¡Óê
[¿¼ÑÐ] ÕÐÊÕ0805£¨²ÄÁÏ£©µ÷¼Á +3 18595523086 2026-03-13 3/150 2026-03-14 00:33 by 123%¡¢
[¿¼ÑÐ] 341Çóµ÷¼Á +4 ·¬ÇÑÍ·--- 2026-03-10 4/200 2026-03-13 23:12 by JourneyLucky
[¿¼ÑÐ] Çó²ÄÁϵ÷¼Á 085600Ó¢Ò»Êý¶þ×Ü·Ö302 ǰÈý¿Æ235 ¾«Í¨»úÆ÷ѧϰ Ò»Ö¾Ô¸¹þ¹¤´ó +4 ÁÖyaxin 2026-03-12 4/200 2026-03-13 22:04 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 290Çóµ÷¼Á +9 ADT 2026-03-11 9/450 2026-03-13 21:55 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷ÄϽ»´ó£¬²ÄÁÏר˶317Çóµ÷¼Á +5 lx8568 2026-03-11 5/250 2026-03-13 21:43 by peike
[¿¼ÑÐ] ¹¤¿Æ£¬Çóµ÷¼Á +3 ÎÒ887 2026-03-11 3/150 2026-03-13 21:39 by JourneyLucky
[¿¼ÑÐ] 293Çóµ÷¼Á +3 ÊÀ½çÊ׸» 2026-03-11 3/150 2026-03-13 16:27 by JourneyLucky
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÊÇLupa°¡ 2026-03-12 3/150 2026-03-13 14:30 by Çóµ÷¼Ázz
[¿¼ÑÐ] 0856»¯¹¤Ô­Àí +6 z2839474511 2026-03-10 6/300 2026-03-13 10:41 by houyaoxu
[¿¼ÑÐ] 08ʳƷ»òÇṤÇóµ÷¼Á£¬±¾¿Æ·¢±í3ƪsciÒ»ÇøtopÂÛÎÄ£¬Ò»Ö¾Ô¸ÄÏʦ´óʳƷ¿ÆÑ§Ó빤³Ì +3 ÎÒÊÇÒ»¸ö±ø£¬ 2026-03-10 3/150 2026-03-13 10:21 by Yuyi.
[¿¼ÑÐ] 333Çóµ÷¼Á +3 152697 2026-03-12 4/200 2026-03-13 07:08 by Iveryant
[¿¼ÑÐ] 290Çóµ÷¼Á +3 ¿Â»´È» 2026-03-10 8/400 2026-03-11 13:48 by ¿Â»´È»
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û