Znn3bq.jpeg
²é¿´: 1875  |  »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

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
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

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

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] ±¾ÈËÅ®º¢ +8 ºðºð£¬ 2026-04-10 10/500 2026-04-17 11:28 by 4444si
[¿¼ÑÐ] Ò»Ö¾Ô¸Öпƴó²ÄÁÏÓ뻯¹¤£¬353·Ö»¹Óе÷¼ÁѧУÂð +9 ·ñ¼«Ì©À´2026 2026-04-15 11/550 2026-04-17 11:08 by liuzhexuan12
[¿¼ÑÐ] 26ҩѧר˶105500Çóµ÷¼Á +6 à¶¹þ¼ÓÓÍ 2026-04-13 7/350 2026-04-16 14:31 by zhouxiaoyu
[¿¼ÑÐ] 322Çóµ÷¼Á +8 123°²¿µ 2026-04-12 15/750 2026-04-16 11:07 by Espannnnnol
[¿¼ÑÐ] ³õÊÔ324 ÖÐҩѧ Ò»Ö¾Ô¸ÌìÖÐÒ½ Çóµ÷¼Á +4 ÀîµÄLucky 2026-04-10 4/200 2026-04-16 09:22 by fqwang
[¿¼ÑÐ] Çóµ÷¼ÁÍÆ¼ö +8 СÄô°®Ñ§Ï° 2026-04-14 8/400 2026-04-16 07:22 by ѧԱJpLReM
[¿¼ÑÐ] Çóµ÷¼ÁѧУ +14 ²»»á³ÔÈâ 2026-04-13 16/800 2026-04-15 21:59 by noqvsozv
[¿¼ÑÐ] 0854µ÷¼Á +13 ³¤¹­°Á 2026-04-12 16/800 2026-04-15 13:45 by fenglj492
[¿¼ÑÐ] ҩѧ305Çóµ÷¼Á +10 Â꿨°Í¿¨boom 2026-04-10 10/500 2026-04-14 15:55 by zs92450
[¿¼ÑÐ] ʳƷÓëÓªÑø£¨0955£©271Çóµ÷¼Á +15 Éý¸ñ°¢´ï 2026-04-12 16/800 2026-04-14 13:18 by ¸¡Èô_°²Éú
[¿¼ÑÐ] Çóµ÷¼Á +3 ÎÒ°®¸ßÊý¸ßÊý°®Î 2026-04-12 3/150 2026-04-14 01:00 by Íõ¬Bè±
[¿¼ÑÐ] ¿¼ÑÐÓ¢Ò»ÊýÒ»338·Ö +9 ³¤½­´óѧ¶«Ð£Çø 2026-04-13 10/500 2026-04-14 00:41 by Íõ¬Bè±
[¿¼ÑÐ] Çóµ÷¼Á£¬985²ÄÁÏÓ뻯¹¤348·Ö +9 º­ÖñÁõ 2026-04-11 14/700 2026-04-13 22:26 by º­ÖñÁõ
[¿¼ÑÐ] 290Çóµ÷¼Á +18 ¿Â»´È» 2026-04-12 20/1000 2026-04-13 12:56 by cyh¡ª315
[¿¼ÑÐ] Ò»Ö¾Ô¸Õã´óÉúÎï325·ÖÇóµ÷¼Á +9 zysheng 2026-04-12 9/450 2026-04-12 22:31 by yuyin1233
[¿¼ÑÐ] 295·ÖÇóµ÷¼Á +13 ?ÒªÉϰ¶? 2026-04-10 13/650 2026-04-12 15:37 by laoshidan
[¿¼ÑÐ] 339Çóµ÷¼Á +8 hanwudada 2026-04-11 9/450 2026-04-12 15:36 by laoshidan
[¿¼ÑÐ] 270Çóµ÷¼Á +14 ÑîÀÖ369 2026-04-11 14/700 2026-04-11 20:16 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 309Çóµ÷¼Á +14 wdhw 2026-04-10 15/750 2026-04-10 21:06 by zhouxiaoyu
[¿¼ÑÐ] ±¾9 Ò»Ö¾Ô¸Î÷¹¤´ó085601 324Çóµ÷¼Á +5 wysyjs25 2026-04-10 5/250 2026-04-10 16:57 by luoyongfeng
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û