²é¿´: 516  |  »Ø¸´: 2

amanda0_0ma

гæ (СÓÐÃûÆø)

[½»Á÷] ÈçºÎÔËÓÃAIMALLÅж¨ÌåϵÄÚÊÇ·ñ´æÔÚÇâ¼ü ÒÑÓÐ2È˲ÎÓë

AIMÀíÂÛ½¨ÒéÓÃ8¸ö±ê×¼ÓÃÀ´Åж¨ÌåϵÄÚÊÇ·ñ´æÔÚÇâ¼ü£¬ÄÄλ¸ßÈË¿ÉÒÔÏêϸ½éÉÜÏÂÔËÓÃAIMALLÔõô·ÖÎöSUMÎļþ£¬²¢Óõõ½µÄÄÄЩ²ÎÊýÀ´¸ù¾Ý8¸ö±ê×¼Åж¨ÌåϵÄÚÊÇ·ñ´æÔÚÇâ¼ü£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

lxying

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
²Î¼ûÎÄÏ×
J Phys Chem, 1995, 99:9747-9754
J Phys Chem A, 1998, 102:1873-1878
Ã÷Ìì»á¸üºÃ£¡
2Â¥2012-01-26 15:03:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

sobereva

ÖÁ×ðľ³æ (ÖøÃûдÊÖ)

±¾ÈËÒÑÓÀ¾ÃÀ뿪Сľ³æ


¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÔÚJ. Phys. Chem. A 2004, 108, 10865-10872ÖÐÔ­ÏÈ8¸ö±ê×¼Òѱ»¼ò»¯ÎªÁ½¸ö¡£×ÔÐÐÕÒÊä³öÎļþÖжÔÓ¦ÏîÈ¥±È½Ï¼´¿É¡£Èç¹ûÏÓAIMALLÊä³öÐÅϢ̫¶àÌ«ÂÒ£¬¿ÉÒÔÓÃMultiwfnÈ¥·ÖÎö£¬Êä³öÐÅÏ¢Çå³þµÃ¶à¡£
3Â¥2012-01-26 16:19:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ amanda0_0ma µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼²©] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8.O.55.1.O54,¿ÆÄ¿È«,¿ÉÙ¤¼± +3 ASdOkHsho7FD 2026-08-28 5/250 2026-08-29 09:49 by G6APbkg8SA6w
[½Ìʦ֮¼Ò] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8.O.55.1.O54,¿ÆÄ¿È«,¿ÉÙ¤¼± +3 ASdOkHsho7FD 2026-08-28 4/200 2026-08-29 09:48 by G6APbkg8SA6w
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8.O.55.1.O.54,¿ÆÄ¿ÆëÈ«,¿ÉÙ¤¼± +4 ASdOkHsho7FD 2026-08-28 7/350 2026-08-29 09:38 by G6APbkg8SA6w
[»ù½ðÉêÇë] ¹ú×ÔÈ»ÆÀÉóÒâ¼û +12 wangmingqi 2026-08-28 17/850 2026-08-29 08:43 by appleren
[»ù½ðÉêÇë] Ϊʲô×ÊÖúÊý¸÷´ó¸ßУ¶¼´´Ð¸ߣ¬×Ô¼ºÉêÇëÔõô¾ÍÕâôÄÑ +12 Kittylucky 2026-08-27 13/650 2026-08-29 00:04 by superceng
[»ù½ðÉêÇë] ¹ú×ÔÈ»ÃæÉϸ´ÅÌ~»¶Ó­ÌÖÂÛ (½ð±Ò+15) +13 ÇçÌì¼ÓÓÍ 2026-08-26 14/700 2026-08-28 18:36 by huagongfeihu
[»ù½ðÉêÇë] ϵͳ²é²»µ½ +11 ¶­°Ëǧ 2026-08-26 11/550 2026-08-28 18:06 by Leogzhya
[»ù½ðÉêÇë] Â鷳ר¼ÒÃÇ¿´¿´ÆÀίÃǵÄÒâ¼û£¨F¿ÚÃæÉÏ£© +4 gdd2018 2026-08-28 9/450 2026-08-28 14:22 by jklily
[»ù½ðÉêÇë] Ôõô²é°¡ +6 huang1991js 2026-08-26 6/300 2026-08-28 08:42 by winsaint
[»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] ¹úºÏÀïÃæÄÜ¿´µ½ÁË +7 Ò»»³Ü°Çï 2026-08-26 7/350 2026-08-26 11:23 by zhaosm1982
[»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] ÏîÄ¿ÐÅÏ¢ºÍ¾­·ÑÐÅÏ¢ÔÚϵͳÀï¶¼¿ÉÒÔ¿´µ½ÁË +6 wittyboy 2026-08-26 14/700 2026-08-26 10:55 by wittyboy
[»ù½ðÉêÇë] ¹úºÏ¿É²éÁË +3 paperzjh 2026-08-26 3/150 2026-08-26 10:41 by LemmonTr
[»ù½ðÉêÇë] ½ñÌìÎñί»á¿ªÍêÁË£¬Ã÷Ìì³ö½á¹ûÂð +19 angus9576 2026-08-25 23/1150 2026-08-26 10:03 by zp519
[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] ijЩ»ú¹¹£¬ÒÔЧÂʵÍΪÈÙ£¬ÒÔЧÂʵÍ×÷Ϊ´æÔڸР+9 yuleib84 2026-08-25 10/500 2026-08-25 17:14 by alexon
[»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
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û