±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 931  |  »Ø¸´: 10
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ð©¶ù165

Í­³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿ÓÃDFTÄÜ·ñ¼ÆËã·´Ó¦µÄƽºâ³£Êý

ÓÃDFTÄÜ·ñ¼ÆËã·´Ó¦µÄƽºâ³£Êý°¡£¿¿´ÁËһƪÎÄÏ׺ÃÏñÊÇ˵¿ÉÒÔ°¡£¬ÔõôËã
»Ø¸´´ËÂ¥
×ö¸ö´ÏÃ÷ÓÅÑŵÄÅ®ÈË
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mscic

½ð³æ (ÕýʽдÊÖ)

²»ÐèÒªÌØ±ðµÄ¹Ø¼ü×Ö£¬ÓÐÓõÄÐÅÏ¢°üÀ¨ÆµÂʵȵȣ¬Ò»°ã¼ÆËã½á¹ûÖж¼ÓУ¬²»¹ýÓÐһЩ¼¼ÇÉ£¬Íü¼ÇÁË£¬ºÇºÇ£¬¿´¿´±ðÈ˵ÄÂÛÎİɣ¡Ñ§Î»ÂÛÎÄ¡£¡£¡£¡£

RRKM-TST: a program to calculate the T, P-dependent kinetics for complex reactions.

ÕÒÕÒÕâ¸ö¶«Î÷¡£¡£¡£¡£¡£¡£¡£

[ Last edited by mscic on 2008-9-17 at 12:04 ]
5Â¥2008-09-17 09:10:42
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

abbott

½ð³æ (ÖøÃûдÊÖ)

²»ÒªÓÃQQÎÊÎÒ¶«Î÷

ÎÒÒ²ÏëÊ®·ÖÖªµÀÕâ¸öÊÂÇé°¡
Chemistry[]==[]Chem[]is[]try!!!
2Â¥2008-09-12 18:13:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

mscic

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
spur(½ð±Ò+2,VIP+0):3Q!»¶Ó­³£À´£¡
ÕâÊǶ¯Á¦Ñ§µÄ²¿·Ö£¬£¬DFTËã³öÀ´µÄÊÇ·´Ó³»úÀí£¬»úÀí³öÀ´ºó»¹ÐèÒª¸ù¾ÝRRKM-TST½øÐмÆËãËÙÂÊ£¬Æ½ºâ³£ÊýµÈ£¬³£ÓõijÌÐòÓÐpolyrate£¬VARIFLEXµÈ
3Â¥2008-09-13 17:18:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ð©¶ù165

Í­³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by mscic at 2008-9-13 17:18:
ÕâÊǶ¯Á¦Ñ§µÄ²¿·Ö£¬£¬DFTËã³öÀ´µÄÊÇ·´Ó³»úÀí£¬»úÀí³öÀ´ºó»¹ÐèÒª¸ù¾ÝRRKM-TST½øÐмÆËãËÙÂÊ£¬Æ½ºâ³£ÊýµÈ£¬³£ÓõijÌÐòÓÐpolyrate£¬VARIFLEXµÈ

лл£¬ÄÇôÓÃDFTËã·´Ó¦»úÀíÒª¼Óʲô¹Ø¼ü×Ö£¿
×ö¸ö´ÏÃ÷ÓÅÑŵÄÅ®ÈË
4Â¥2008-09-16 09:26:27
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 315·Ö 085602 Çóµ÷¼Á +11 26¿¼ÑÐÉϰ¶°æ26 2026-04-02 11/550 2026-04-03 06:55 by jsw79
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ²ÄÁϹ¤³Ì085601£¬Çóµ÷¼Á +11 cdyw 2026-04-02 11/550 2026-04-02 23:06 by Âí¶ù¿ì¿ìµØÅÜ
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬335·Ö£¬0856£¬Çóµ÷¼ÁԺУºÍµ¼Ê¦ +15 Çã____Ïô 2026-03-27 16/800 2026-04-02 22:50 by JourneyLucky
[¿¼ÑÐ] 302Çóµ÷¼ÁÒ»Ö¾Ô¸»ªÖÐʦ·¶´óѧ +7 С½­Ð¡½­½­½­ 2026-04-02 7/350 2026-04-02 21:48 by macy2011
[¿¼ÑÐ] 324Çóµ÷¼Á +11 ÏëÉÏѧÇóµ÷ 2026-04-02 11/550 2026-04-02 21:23 by ÅÁ¶ûÂíÀ­ÌØ
[¿¼ÑÐ] 342Çóµ÷¼Á +16 Mary Keen 2026-03-28 17/850 2026-04-02 21:14 by 690616278
[¿¼ÑÐ] 264·Ö£¬ÇóÈÎÒ⹤¿Æµ÷¼Á +4 zzlqwq 2026-03-29 5/250 2026-04-02 17:17 by ºÎÔø¼¸ºÎ
[¿¼ÑÐ] 385·Ö ÉúÎïѧ£¨071000£©Çóµ÷¼Á +6 qf626 2026-04-01 6/300 2026-04-02 10:39 by guoweigw
[¿¼ÑÐ] 322Çóµ÷¼Á +5 ìäÙÒXX 2026-03-31 6/300 2026-04-02 10:08 by Çóµ÷¼Ázz
[¿¼ÑÐ] °²È«¹¤³Ì 285 Çóµ÷¼Á +3 Xinyu56 2026-04-01 4/200 2026-04-01 21:50 by ¾²¾²¾²¾²¾²¾²¾²¾
[¿¼ÑÐ] 311Çóµ÷¼ÁÒ»Ö¾Ô¸ºÏ·Ê¹¤Òµ´óѧ +14 Çï¶þÊ®¶þ 2026-03-30 14/700 2026-04-01 11:45 by chemdavid
[¿¼ÑÐ] 267Çóµ÷¼Á +13 uiybh 2026-03-31 13/650 2026-04-01 10:25 by ̽123
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷½»´ó080500²ÄÁÏѧ˶349 +6 jqx1258 2026-03-31 7/350 2026-03-31 21:08 by yuq
[¿¼ÑÐ] 080200ѧ˶£¬»úе¹¤³Ìרҵ277·Ö£¬Çó´ø×ߣ¡ +4 Æ¿×ÓPZ 2026-03-31 4/200 2026-03-31 20:16 by vgtyfty
[¿¼ÑÐ] ¿¼Ñе÷¼Á +9 СÀ¯ÐÂ±Ê 2026-03-29 10/500 2026-03-31 19:52 by Dyhoer
[¿¼ÑÐ] 070300»¯Ñ§354Çóµ÷¼Á +15 101´ÎÏ£Íû 2026-03-28 15/750 2026-03-31 17:58 by jp9609
[¿¼ÑÐ] 0856 335·Ö +9 cccchenso 2026-03-29 9/450 2026-03-31 16:37 by lishahe
[¿¼ÑÐ] 22408 359·Öµ÷¼Á +4 Qshers 2026-03-27 8/400 2026-03-31 08:53 by Qshers
[¿¼ÑÐ] Ò»Ö¾Ô¸Öк£Ñó320»¯Ñ§¹¤³ÌÓë¼¼Êõѧ˶Çóµ÷¼Á +8 ÅûÐÇºÓ 2026-03-30 8/400 2026-03-31 08:53 by lbsjt
[¿¼ÑÐ] 296Çóµ÷¼Á +10 ±Ë°¶t 2026-03-29 10/500 2026-03-30 10:50 by ̽123
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û