±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 480  |  »Ø¸´: 4
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

xxjiang

Òø³æ (СÓÐÃûÆø)

[ÇóÖú] µç×ÓÈÝÒ×ÊÜÈŶ¯µÄ±íÕ÷

ÇëÎÊ´ó¼ÒÔÚÎÄÏ×ÖÐÓÐûÓмûµ½¹ý±ê¶¨µç×ÓÊÕÈŶ¯µÄÄÑÒ׳̶ȵÄÕâÑùµÄÒ»¸öÎïÀíÁ¿Ñ½
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

xxjiang

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
2Â¥: Originally posted by sobereva at 2013-04-05 23:12:52
Èç¹ûÄãÏë±íÕ÷ÕûÌåµÄµç×ÓÒ×ÈŶ¯µÄ³Ì¶È£¬¿ÉÒÔ¼ÆËã¸ÅÄîÃܶȷºº¯ÀïµÄÈí¶È£¬HOMO-LUMO gapÊÇËüµÄ½üËÆ±íʾ¡£ÄãÒ²¿ÉÒÔ¼ÆËãÌåϵµÄ¼«»¯ÂÊ¡£
Èç¹ûÄãÏë±íÕ÷Ìåϵ²»Í¬ÇøÓòµç×Ó±»ÈŶ¯µÄÄÑÒ׳̶ȣ¬¿ÉÒÔ¼ÆËã¾Ö²¿Èí¶È£¨Èí¶ÈÓ븣¾®º¯ ...

ÄÇÇëÎÊÓÃʲôÈí¼þ¿ÉÒÔʵÏÖѽ£¿Ð»Ð»
3Â¥2013-04-06 09:36:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

sobereva

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

±¾ÈËÒÑÓÀ¾ÃÀ뿪Сľ³æ


¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990: ½ð±Ò+5 2013-04-06 00:43:02
zhou2009: ½ð±Ò+5 2013-04-06 08:01:50
Èç¹ûÄãÏë±íÕ÷ÕûÌåµÄµç×ÓÒ×ÈŶ¯µÄ³Ì¶È£¬¿ÉÒÔ¼ÆËã¸ÅÄîÃܶȷºº¯ÀïµÄÈí¶È£¬HOMO-LUMO gapÊÇËüµÄ½üËÆ±íʾ¡£ÄãÒ²¿ÉÒÔ¼ÆËãÌåϵµÄ¼«»¯ÂÊ¡£
Èç¹ûÄãÏë±íÕ÷Ìåϵ²»Í¬ÇøÓòµç×Ó±»ÈŶ¯µÄÄÑÒ׳̶ȣ¬¿ÉÒÔ¼ÆËã¾Ö²¿Èí¶È£¨Èí¶ÈÓ븣¾®º¯ÊýÏà³Ë£©£¬Ò²¿ÉÒÔ¼ÆËãÆ½¾ù¾Ö²¿Àë×Ó»¯ÄÜ£¬¿É²Î¼ûTheoretical Aspects of Chemical ReactivityµÚ8ÕµĵÚ7½Ú¡£
2Â¥2013-04-05 23:12:52
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sobereva

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

±¾ÈËÒÑÓÀ¾ÃÀ뿪Сľ³æ


¡ï ¡ï ¡ï
zhou2009: ½ð±Ò+3 2013-04-06 14:19:17
ÒýÓûØÌû:
3Â¥: Originally posted by xxjiang at 2013-04-06 09:36:07
ÄÇÇëÎÊÓÃʲôÈí¼þ¿ÉÒÔʵÏÖѽ£¿Ð»Ð»...

Èí¶ÈºÍgapÖ±½Ó¸ù¾ÝÁ¿»¯³ÌÐòÊä³öµÄÄÜÁ¿ÐÅÏ¢¾ÍÄܼÆËã¡£
¸£¾®º¯ÊýºÍƽ¾ù¾Ö²¿Àë×Ó»¯ÄÜÓÃMultiwfn¼ÆË㣬ǰÕß¼ûÊÖ²á4.5.4½ÚÀý×Ó£¬ºóÕßÄãµ½googleÒ»ËѾÍÄÜÕÒµ½Ìû×Ó¡£Ç°Õß³ËÉÏÈí¶È¾ÍÊǾֲ¿Èí¶È¡£
4Â¥2013-04-06 14:07:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤µ÷¼Á +10 A-¶ßÀ²ZÃÎ 2026-03-23 16/800 2026-03-27 15:13 by caszguilin
[¿¼ÑÐ] ¼ÆËã»úѧ˶£¬11408¿¼272·Ö£¬Çóµ÷¼Á£¬ÇëÎÊ»¹Äܵ÷¼Áµ½AÇøµÄ¼ÆËã»úѧ˶Â𣿠+3 ¾Ó´«Õñ 2026-03-20 3/150 2026-03-27 15:06 by nihaoar
[¿¼ÑÐ] 085600£¬²ÄÁÏÓ뻯¹¤321·Ö£¬Çóµ÷¼Á +9 ´ó²öС×Ó 2026-03-27 9/450 2026-03-27 14:30 by mmm just
[¿¼ÑÐ] 292Çóµ÷¼Á +12 ¶ì¶ì¶ì¶î¶î¶î¶î¶ 2026-03-25 13/650 2026-03-27 11:32 by wangjy2002
[¿¼ÑÐ] Äϲý´óѧ²ÄÁÏר˶311·ÖÇóµ÷¼Á +10 77chaselx 2026-03-20 10/500 2026-03-27 11:28 by wangjy2002
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤¿¼Ñе÷¼Á +16 ‹üÈA 2026-03-22 16/800 2026-03-27 11:23 by ÍõЦÓîÒ»¶¨ÊÇÑо
[¿¼ÑÐ] 284Çóµ÷¼Á +11 junqihahaha 2026-03-26 12/600 2026-03-27 04:37 by wxiongid
[¿¼ÑÐ] 336²ÄÁÏÇóµ÷¼Á +7 ³ÂäÞÓ¨ 2026-03-26 9/450 2026-03-27 00:20 by wxiongid
[¿¼ÑÐ] 296Çóµ÷¼Á +5 www_q 2026-03-20 5/250 2026-03-26 12:56 by 3Strings
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ´óѧ»¯Ñ§Ñ§Ë¶0703×Ü·Ö337Çóµ÷¼Á +7 niko- 2026-03-22 7/350 2026-03-25 20:14 by qingfeng258
[¿¼ÑÐ] 293Çóµ÷¼Á +7 ¼ÓÒ»Ò»¾Å 2026-03-24 7/350 2026-03-25 12:02 by userper
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +3 iwinso 2026-03-23 3/150 2026-03-25 11:29 by greychen00
[¿¼ÑÐ] 086003ʳƷ¹¤³ÌÇóµ÷¼Á +6 íµíµ111 2026-03-24 6/300 2026-03-25 10:29 by 3Strings
[¿¼ÑÐ] ÉϺ£µçÁ¦´óѧ²ÄÁÏ·À»¤ÓëвÄÁÏÖØµãʵÑéÊÒÕÐÊÕµ÷¼ÁÑо¿Éú£¨²ÄÁÏ¡¢»¯Ñ§¡¢µç»¯Ñ§£¬»·¾³£© +4 ÎÒ°®Ñ§µç³Ø 2026-03-23 4/200 2026-03-25 00:59 by 1027_324
[¿¼ÑÐ] 085404µç×ÓÐÅÏ¢284·ÖÇóµ÷¼Á +4 13659058978 2026-03-24 4/200 2026-03-24 12:15 by syl20081243
[»ù½ðÉêÇë] Çë½ÌÏ´ó¼Ò 2026Äê¹ú¼Ò»ù½ðÉêÇëÊÇ˫äÉóÂ𣿠+3 lishucheng1 2026-03-22 5/250 2026-03-24 08:22 by gltch
[¿¼ÑÐ] ²ÄÁÏ/ũҵרҵ£¬07/08¿ªÍ·¾ù¿É£¬¹ýÏß¾ÍÐÐ +3 ºÇßíŶ»í 2026-03-23 4/200 2026-03-23 22:30 by Íô£¡£¿£¡
[¿¼ÑÐ] 070300£¬Ò»Ö¾Ô¸±±º½320Çóµ÷¼Á +3 Jerry0216 2026-03-22 5/250 2026-03-23 09:16 by ¡£¡£ÌÃÌÃ
[¿¼ÑÐ] ²ÄÁÏѧ˶301·ÖÇóµ÷¼Á +7 Liyouyumairs 2026-03-21 7/350 2026-03-21 22:31 by peike
[¿¼ÑÐ] 085601µ÷¼Á 358·Ö +3 zzzzggh 2026-03-20 4/200 2026-03-21 10:21 by luoyongfeng
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û