Znn3bq.jpeg
²é¿´: 1878  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ludeng8710

гæ (СÓÐÃûÆø)

[ÇóÖú] Çó MOPACµÄ½Ì³Ì£¨Ê¹ÓÃ˵Ã÷£© лл~

Çó MOPACµÄ½Ì³Ì£¨Ê¹ÓÃ˵Ã÷£© лл~
×îºÃÓÐ Testdate or examples (An example of Eigenvector Following, to locate a transition state)
²»Ê¤¸Ð¼¤~
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

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

ludeng8710

гæ (СÓÐÃûÆø)

ÒýÓûØÌû:
3Â¥: Originally posted by damihu2011 at 2012-03-27 16:01:09:
ͬÇ󣬲»ÖªµÀÂ¥Ö÷Äܲ»ÄÜ·ÖÏíÏÂ

ÎÒȥͼÊé¹Ý½èµÄÊé¿´µÄ...
4Â¥2012-03-27 16:29:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

yalefield

½ð³æ (ÎÄ̳¾«Ó¢)

ÀϺºÒ»Ã¶

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
chaizhm(½ð±Ò+2): 2012-03-06 20:03:55
ludeng8710: ½ð±Ò+20, ¡ï¡ï¡ïºÜÓаïÖú, лл~ 2012-03-28 08:32:30
Ôøì¿£¬ChemOffice 2008ʵÓý̳̣¬»¯Ñ§¹¤Òµ³ö°æÉ磬2009
Áõ½­Ñ࣬»¯Ñ§Í¼ÎÄÉè¼ÆÓë·Ö×ÓÄ£Äâ¼ÆË㣬»ªÄÏÀí¹¤´óѧ³ö°æÉ磬2009
2Â¥2012-03-06 12:04:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

damihu2011

Òø³æ (Ö°Òµ×÷¼Ò)

ͬÇ󣬲»ÖªµÀÂ¥Ö÷Äܲ»ÄÜ·ÖÏíÏÂ
ÎÒµÄÑÛÀïÖ»Óб½»·
3Â¥2012-03-27 16:01:09
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

damihu2011

Òø³æ (Ö°Òµ×÷¼Ò)

ÒýÓûØÌû:
4Â¥: Originally posted by ludeng8710 at 2012-03-27 16:29:11:
ÎÒȥͼÊé¹Ý½èµÄÊé¿´µÄ...

ÇëÎÊ£¬Õâ¸öÈí¼þÒªÅäºÏÆäËûÈí¼þÒ»ÆðÓÃÂ𣿣¿ÓкÏÊʵÄÊé¼®Ãû×ÖÂ𣿣¿ÎÒÒ²×Ô¼ºÈ¥½è±¾¿´¿´¡­¡­Ð»Ð»ÁË¡£Ò²¸Õ½Ó´¥Õâ¸ö£¬Ïë¼ÆËãÄÜ´ø¡­¡­
ÎÒµÄÑÛÀïÖ»Óб½»·
5Â¥2012-03-27 19:32:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 304Çóµ÷¼Á +7 castLight 2026-04-16 7/350 2026-04-17 20:05 by ¹ØÒ»ÕµµÆcd
[¿¼ÑÐ] 322Çóµ÷¼Á +6 tekuzu 2026-04-17 6/300 2026-04-17 13:48 by Espannnnnol
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬ÉúÎïѧ326Çóµ÷¼Á +9 Áõīī 2026-04-15 9/450 2026-04-16 17:14 by ´Þ´Þ´Þcccc
[¿¼ÑÐ] 26ҩѧר˶105500Çóµ÷¼Á +6 à¶¹þ¼ÓÓÍ 2026-04-13 7/350 2026-04-16 14:31 by zhouxiaoyu
[¿¼²©] É격×Ô¼ö +3 LinxiaÁÖÏÄ 2026-04-13 3/150 2026-04-16 12:55 by Ä«ºÉ֮¶
[¿¼ÑÐ] 322Çóµ÷¼Á +8 123°²¿µ 2026-04-12 15/750 2026-04-16 11:07 by Espannnnnol
[¿¼ÑÐ] ÉúÎïѧµ÷¼Á +9 Ö½ÉÈzhishan 2026-04-13 9/450 2026-04-15 18:28 by ANÁ÷800
[¿¼ÑÐ] 297¹¤¿Æµ÷¼Á? +14 ºÓÄÏũҵ´óѧ-ÄÜ 2026-04-13 15/750 2026-04-15 13:25 by ºÚ¿Æ¼¼¿óÒµ
[¿¼ÑÐ] ҩѧ305Çóµ÷¼Á +7 Â꿨°Í¿¨boom 2026-04-11 7/350 2026-04-15 13:21 by Î÷±±Íû¡ª·çɳ
[¿¼ÑÐ] µ÷¼Á +12 ÔÂ@163.com 2026-04-11 12/600 2026-04-14 15:37 by zs92450
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +6 ban°àСÆß 2026-04-11 6/300 2026-04-14 14:06 by ¶ßÀ²AÃÎÖ»ÊǸöÃÎ
[¿¼ÑÐ] ʳƷÓëÓªÑø£¨0955£©271Çóµ÷¼Á +15 Éý¸ñ°¢´ï 2026-04-12 16/800 2026-04-14 13:18 by ¸¡Èô_°²Éú
[¿¼ÑÐ] 245Çóµ÷¼Á +6 ±ùÌÇéÙ?ÆûË® 2026-04-13 10/500 2026-04-14 10:49 by jyl0317
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +12 ×ÓľÄÅ 2026-04-12 13/650 2026-04-14 01:19 by Íõ¬Bè±
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] ²ÄÁÏ¿¼Ñе÷¼Á +29 ÔÆÄ¾´ï´ï 2026-04-11 31/1550 2026-04-13 13:32 by lyh³ÀÏʦ
[¿¼ÑÐ] Ò»Ö¾Ô¸085802 323·ÖÇóµ÷¼Á +13 drizzle_9 2026-04-12 14/700 2026-04-13 10:26 by Faiz5552
[¿¼ÑÐ] 0831Ò»ÂÖµ÷¼Áʧ°ÜÇóÖú +10 СÐÜî£î£_s 2026-04-11 10/500 2026-04-12 22:43 by ³¤¹­°Á
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸²ÄÁÏ¿ÆÑ§Ó빤³Ì985£¬365·Ö£¬ +8 ²Ä»¯Àî¿É 2026-04-11 10/500 2026-04-12 08:42 by 852137818
[¿¼ÑÐ] µ÷¼ÁÇóÖú +6 ¹ûÈ»ÓÐÎÒ 2026-04-11 7/350 2026-04-11 16:22 by Ã÷Ô´ËʱÓÐ
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û