²é¿´: 2412  |  »Ø¸´: 7

ʱ¹â´Ò´Ò

Í­³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÌÖÂÛ¡¿´ó¼Ò¼ÆËãÖØÔªËØµÄÐÔÖÊʱÓÐûÓп¼ÂÇÏà¶ÔÂÛÐ§Ó¦ÄØ£¿ ÒÑÓÐ3È˲ÎÓë

ÈçÌ⣬´ó¼Ò²»¹ÜÓÃʲôÈí¼þ»ò·½·¨£¬ÔÚ¼ÆËãº¬ÖØÔªËØµÄÌåϵ£¨ÈçµÚ3£¬4ÖÜÆÚÔªËØ£©Ê±ÓÐûÓп¼Âǵ½Ïà¶ÔÂÛÐ§Ó¦ÄØ£¬µ½µ×»áÓ°Ïì¶à´óÄØ£¿
ÔÚ¸ß˹ÖÐÔõÑù¿¼ÂÇÏà¶ÔÂÛÄØ£¬ÒªÓÃʲô¹Ø¼ü×Ö£¬ÔÚ˵Ã÷ÊéÖÐûÕÒµ½°¡£¿
¼±ÇÐÇóÖú£¬Ð»Ð»£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

recoli

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
lei0736(½ð±Ò+2,VIP+0):лл 7-27 10:18
һЩECPÒѾ­°üÀ¨ÁËÏà¶ÔÂÛЧӦ¡£¶ÔÓÚһЩȡ¾öÓÚÍâ²ãµç×ÓµÄÐÔÖÊÀ´Ëµ£¬Ïà¶ÔÂÛЧӦӰÏì²»´ó¡£
2Â¥2009-07-22 20:46:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ʱ¹â´Ò´Ò

Í­³æ (СÓÐÃûÆø)

лл£¡
3Â¥2009-07-22 22:45:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

beefly

ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)

µØ¹µÓÍÒ±Á¶×¨¼Ò

¡ï ¡ï ¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
lei0736(½ð±Ò+4,VIP+0):лл 7-27 10:18
³£ÓõÄecp¶¼Êǰüº¬Á˱êÁ¿Ïà¶ÔÂÛЧӦµÄ¡£³ý´ËÖ®Í⻹ÓзÇÏà¶ÔÂÛecp£¬ÓõĺÜÉÙ¡£°üº¬Ðý¹ìñîºÏµÄ¶þ·ÖÁ¿ecpÖ»ÓÐÉÙÊý¼¸¸öÈí¼þÄÜÓõ½£¨molpro£¬columbus£¬nwchem£¬turbomole£©¡£

gaussian´Ó03°æ¿ªÊ¼£¬Ò²Ö§³ÖÈ«µç×ӵıêÁ¿dkh¼ÆË㣬Äܹ»¸ü׼ȷµØ¿¼ÂÇÏà¶ÔÂÛЧӦ£¬µ«ÊǼÆËãÁ¿¸ü´ó£¬¶øÇÒÐèҪרÃŵÄÏà¶ÔÂÛ»ù×飬gaussian×Ô´øµÄ»ù×é¶¼²»ÄÜÓá£

¶ÔÓÚRnÒÔϵÄÔªËØÀ´Ëµ£¬ÓÃecp¿¼ÂDZêÁ¿Ïà¶ÔÂÛЧӦ£¬¾«¶Èͨ³£×ã¹»ÁË¡£
beefly¡¶Î÷̫ƽÑó´óѧÏÖ´úÓ¢ºº´Êµä¡·[bi:fli]Å£ÈâÒ»°ãµØ
4Â¥2009-07-22 22:55:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

suoxidong

¾èÖú¹ó±ö (ÕýʽдÊÖ)

¼ÓÓÍ

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
²éµ½ËùÓÐÔªËØ¸ÃÓõĻù×飬ÓøÃÖØ½ðÊôÏàÓ¦µÄ»ù×é¾ÍÄÜ¿¼Âǵ½¸ÃÓ°ÏìÁ˰É
ÄÄÒ»Ìì»á³ÉΪһÃûѧÕßÄØ£¿£¡
5Â¥2010-05-14 22:05:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

suoxidong

¾èÖú¹ó±ö (ÕýʽдÊÖ)

¼ÓÓÍ

¡ï ¡ï
aylayl08(½ð±Ò+2):лл½»Á÷ 2010-05-17 10:47:06
²éµ½ËùÓÐÔªËØ¸ÃÓõĻù×飬ÓøÃÖØ½ðÊôÏàÓ¦µÄ»ù×é¾ÍÄÜ¿¼Âǵ½¸ÃÓ°ÏìÁ˰É
ÄÄÒ»Ìì»á³ÉΪһÃûѧÕßÄØ£¿£¡
6Â¥2010-05-14 22:07:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

3867826

ľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
aylayl08(½ð±Ò+2):лл½»Á÷ 2010-05-17 10:47:19
¸öÈË ¾õµÃµ¥½ðÊôÔ­×ÓÓÃØÍÊÆ»ú×é »¹ºÃ
µ«ÊÇË«½ðÊôЧ¹û¾ÍºÜ²î£¡
¾Ü¸å£¬ÖÕÓÚÌå»áµ½ÁË£¡ÂÒд½ÓÊÜ£¬ÈÏÕæÐ´¾Ü¸å£¬Õâ¾ÍÊÇ2ºÍ4µÄÇø±ðÂð£¿
7Â¥2010-05-15 08:55:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ìì¿Õ¿Õ

ľ³æ (ÕýʽдÊÖ)

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
aylayl08(½ð±Ò+2):лл½»Á÷ 2010-05-17 10:47:29
ÒýÓûØÌû:
Originally posted by beefly at 2009-07-22 22:55:32:
³£ÓõÄecp¶¼Êǰüº¬Á˱êÁ¿Ïà¶ÔÂÛЧӦµÄ¡£³ý´ËÖ®Í⻹ÓзÇÏà¶ÔÂÛecp£¬ÓõĺÜÉÙ¡£°üº¬Ðý¹ìñîºÏµÄ¶þ·ÖÁ¿ecpÖ»ÓÐÉÙÊý¼¸¸öÈí¼þÄÜÓõ½£¨molpro£¬columbus£¬nwchem£¬turbomole£©¡£

gaussian´Ó03°æ¿ªÊ¼£¬Ò²Ö§³ÖÈ«µç×ӵıê ...

CFOURÃ²ËÆÒ²Ö§³Ö¶þ·ÖÁ¿ecp, ÁíÍâ¾ÍÊÇMOLFDIRÁË£¬ËäÈ»ÏÖÔÚÒѾ­¼¸ºõûÈËÓÃÁË.

[ Last edited by Ìì¿Õ¿Õ on 2010-5-15 at 10:05 ]
ºÃºÃѧϰ£¬ÌìÌìÏòÉÏ£¡ºÙºÙ
8Â¥2010-05-15 10:00:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ʱ¹â´Ò´Ò µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 086003ʳƷ¹¤³ÌÇóµ÷¼Á +6 íµíµ111 2026-03-24 6/300 2026-03-25 10:29 by 3Strings
[¿¼ÑÐ] 286Çóµ÷¼Á +11 Faune 2026-03-21 11/550 2026-03-25 10:11 by ÎíÉ¢ºóÏàÓölc
[¿¼ÑÐ] »¯¹¤×¨Ë¶Çóµ÷¼Á +3 questionÍì·ç 2026-03-24 3/150 2026-03-24 18:48 by jhhcooi
[¿¼ÑÐ] ×ÊÔ´Óë»·¾³ µ÷¼ÁÉêÇë(333·Ö) +7 holy J 2026-03-21 7/350 2026-03-24 17:24 by xiaohai104
[¿¼ÑÐ] Çóµ÷¼Á +5 ÁÖ֮Ϧ 2026-03-24 5/250 2026-03-24 17:16 by dick_runner
[¿¼ÑÐ] 291Çóµ÷¼Á +3 HanBeiNingZC 2026-03-24 3/150 2026-03-24 16:34 by barlinike
[²ÄÁϹ¤³Ì] Ò»Ö¾Ô¸C9²ÄÁÏÓ뻯¹¤×¨Òµ×Ü·Ö300Çóµ÷¼Á +4 Âü111 2026-03-24 5/250 2026-03-24 15:44 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 321Çóµ÷¼Á +4 Ymlll 2026-03-24 4/200 2026-03-24 14:44 by sprinining
[¿¼ÑÐ] Çóµ÷¼Á +7 Ê®Èý¼ÓÓÍ 2026-03-21 7/350 2026-03-23 23:48 by ÈÈÇéɳĮ
[¿¼ÑÐ] 291 Çóµ÷¼Á +4 »¯¹¤2026½ì±ÏÒµÉ 2026-03-21 5/250 2026-03-23 16:46 by »¯¹¤2026½ì±ÏÒµÉ
[¿¼ÑÐ] ʯºÓ×Ó´óѧ£¨211¡¢Ë«Ò»Á÷£©Ë¶²©Ñо¿Éú³¤ÆÚÕÐÉú¹«¸æ +3 Àî×ÓÄ¿ 2026-03-22 3/150 2026-03-22 21:01 by ÔõôÊÍ»³
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤085600£¬×Ü·Ö304£¬±¾¿ÆÓÐÁ½Æªsci²ÎÓ룬Çóµ÷¼Á +4 ÐÒÔ˵Ľ´½´ 2026-03-22 5/250 2026-03-22 20:15 by edmund7
[¿¼ÑÐ] 285Çóµ÷¼Á +6 ytter 2026-03-22 6/300 2026-03-22 12:09 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖпƼ¼´óѧ071000£¬Çóµ÷¼Á +4 ÑØ°¶Óб´¿Ç6 2026-03-21 4/200 2026-03-22 07:21 by ilovexiaobin
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏ´ó£¬0703»¯Ñ§£¬·ÖÊý336£¬Çóµ÷¼Á +3 ÊÕµ½VS 2026-03-21 3/150 2026-03-21 18:42 by ѧԱ8dgXkO
[¿¼ÑÐ] ²ÄÁÏѧ˶333Çóµ÷¼Á +3 ±±µÀÏï 2026-03-18 3/150 2026-03-21 18:17 by ѧԱ8dgXkO
[¿¼ÑÐ] 321Çóµ÷¼Á +9 ºÎÈó²É123 2026-03-18 11/550 2026-03-20 23:19 by JourneyLucky
[¿¼ÑÐ] AÇøÏß²ÄÁÏѧµ÷¼Á +5 ÖÜÖÜÎÞ¼« 2026-03-20 5/250 2026-03-20 21:33 by laoshidan
[¿¼ÑÐ] 295¸´ÊÔµ÷¼Á +8 ¼òľChuFront 2026-03-19 8/400 2026-03-20 20:44 by zhukairuo
[¿¼ÑÐ] Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +5 @taotao 2026-03-20 5/250 2026-03-20 20:16 by JourneyLucky
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û