²é¿´: 848  |  »Ø¸´: 4
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

1319966104

гæ (³õÈëÎÄ̳)

[½»Á÷] ÈçºÎ·ÖÎöGaussian½á¹ûÖеĵç×ÓÏà¹ØÐÔ×÷Óà ÒÑÓÐ2È˲ÎÓë

×Éѯ¸÷λ³æ×Ó£¬ÈçºÎ¶ÔÆÀÉóÈËÌá³öµÄ ¡°ÐèÒªÔÙÌÖÂÛ¹¹ÐÍÖеĵç×ÓÏà¹ØÐÔ×÷Óá±£¬ÓÐЩ²»Ã÷°×£¬µç×ÓÏà¹ØÐԺͷÖ×Ó¹ìµÀÊÇ·ñÓйØÏµÄØ Ð»Ð»£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÑÝÒᆱ²Ê
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Miracle922

Í­³æ (ÕýʽдÊÖ)

¡ï
gmy1990(½ð±Ò+1): 2011-11-16 12:21:25
Ó¦¸ÃÊÇÖ¸µç×Ó¹ØÁªÐ§Ó¦°É£¿¿ÉÒÔ³¢ÊÔ¼¸ÖÖ²»Í¬µÄ·ºº¯ÊÔÊÔ, Èç¹ûÄÜÅܶ¯MP2¸üºÃ
×öµ½¼«Ö£¬×öµ½Ï¸´¦
5Â¥2011-11-16 10:07:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

linzhongaiguo

Í­³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
zhou2009(½ð±Ò+2): 2011-11-14 19:50:49
µç×ÓÏà¹ØÐÔ×÷ÓÃ: ¼´µç×ÓЧӦ
DFT
2Â¥2011-11-14 17:03:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

1319966104

гæ (³õÈëÎÄ̳)

ÒýÓûØÌû:
2Â¥: Originally posted by linzhongaiguo at 2011-11-14 17:03:47:
µç×ÓÏà¹ØÐÔ×÷ÓÃ: ¼´µç×ÓЧӦ

ºÇºÇ лл£¬ÊÇ·ñ¿ÉÒÔÔÙ˵µÄÏêϸһµãÄØ ÄÜ·ñ¸úGaussianÊä³öÎļþÄÄЩ²¿·Ö¹ØÁªÄØ
ÑÝÒᆱ²Ê
3Â¥2011-11-14 17:48:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

liangshash

Í­³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
gmy1990(½ð±Ò+1): 2011-11-16 12:21:21
²»ÖªÄãÓõÄÊÇʲô·½·¨£¿ Ó¦¸ÃÊǶ¯Ì¬µç×ÓÏà¹Ø
CC»òÕßMPÊÇsingle-determinationµÄ£¬¹À¼ÆÊÇÒªÄãÓëMRCI/CASSCFµÄ·½·¨±È½Ï°É
4Â¥2011-11-15 16:18:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-18 3/150 2026-03-19 14:42 by peike
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +5 pupcoco 2026-03-17 8/400 2026-03-19 13:58 by houyaoxu
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤Çóµ÷¼Á +6 Ð÷ÐÒÓë×Ó 2026-03-17 6/300 2026-03-19 13:27 by houyaoxu
[¿¼ÑÐ] Ò»Ö¾Ô¸Öк£Ñó²ÄÁϹ¤³Ìר˶330·ÖÇóµ÷¼Á +7 С²Ä»¯±¾¿Æ 2026-03-18 7/350 2026-03-19 10:46 by Linda Hu
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖпƼ¼´óѧ£¬080502£¬354·ÖÇóµ÷¼Á +4 ÊØºòϦÑôCF 2026-03-18 4/200 2026-03-18 22:16 by li123456789.
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á £¬Áù¼¶Òѹý£¬ÓпÆÑо­Àú +10 êØÎõÙâ 2026-03-15 10/500 2026-03-18 14:19 by 007_lilei
[¿¼ÑÐ] 265Çóµ÷¼Á +3 ÁºÁºÐ£Ð£ 2026-03-17 3/150 2026-03-18 09:12 by zhukairuo
[¿¼ÑÐ] 334Çóµ÷¼Á +3 Ö¾´æ¸ßÔ¶ÒâÔÚ»úÐ 2026-03-16 3/150 2026-03-18 08:34 by lm4875102
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 éÙËÌ. 2026-03-17 4/200 2026-03-17 21:43 by ÓÐÖ»ÀêÅ«
[¿¼ÑÐ] 277µ÷¼Á +5 ×ÔÓɼå±ý¹û×Ó 2026-03-16 6/300 2026-03-17 19:26 by Àîleezz
[¿¼ÑÐ] 332Çóµ÷¼Á +6 Zz°æ 2026-03-13 6/300 2026-03-17 17:03 by ruiyingmiao
[¿¼ÑÐ] ²ÄÁϹ¤³Ìר˶274Ò»Ö¾Ô¸211Çóµ÷¼Á +6 Ñ¦ÔÆÅô 2026-03-15 6/300 2026-03-17 11:05 by ѧԱh26Tkc
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] ÖпÆÔº²ÄÁÏ273Çóµ÷¼Á +4 yzydy 2026-03-15 4/200 2026-03-16 15:59 by Gaodh_82
[¿¼²©] ¶«»ªÀí¹¤´óѧ»¯²Äרҵ26½ì˶ʿ²©Ê¿ÉêÇë +6 zlingli 2026-03-13 6/300 2026-03-15 20:00 by ryzcf
[¿¼ÑÐ] ¸´ÊÔµ÷¼Á +3 ºôºô£¿~+123456 2026-03-14 3/150 2026-03-14 16:53 by WTUChen
[¿¼ÑÐ] ²ÄÁϹ¤³Ìµ÷¼Á +9 ßäßä¿Õ¿Õ 2026-03-12 9/450 2026-03-13 22:05 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 085600²ÄÁÏÓ뻯¹¤ 309·ÖÇëÇóµ÷¼Á +7 dtdxzxx 2026-03-12 8/400 2026-03-13 14:43 by jxchenghu
[¿¼ÑÐ] 289Çóµ÷¼Á +3 ÀîÕþÓ¨ 2026-03-12 3/150 2026-03-13 11:02 by Çóµ÷¼Ázz
[¿¼ÑÐ] 333Çóµ÷¼Á +3 152697 2026-03-12 4/200 2026-03-13 07:08 by Iveryant
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û