²é¿´: 2666  |  »Ø¸´: 6

zhouxiaodi

гæ (³õÈëÎÄ̳)

[½»Á÷] ¡¾ÇóÖú¡¿chem3dÖÐMOPACÓнçÃæµã»÷ÎÞ·´Ó¦Ôõô»ØÊ ÒÑÓÐ6È˲ÎÓë

ÈçÌ⣬ÎÒ°´ÕÕÍøÉÏÇ¿ÈË·¢ÏÖµÄchemofficeʹÓÃmopacµÄ·½·¨ÏÂÔØ²¢×¢²áÁËmopac£¬ÔÚchem3dÖÐÒ²³öÏÖÁËmopacµÄ½çÃæ£¬Èçͼ

µ«Õý³£Ê¹ÓÃÁËÒ»´ÎÖ®ºó£¬mopac¾ÍûÓз´Ó¦ÁË£¬µã»÷ËùÓÐÏîÄ¿µÄRUN¶¼Ã»Óз´Ó¦£¬¶øÇÒ֨װchemofficeҲûÓã¬ÎÒÓõÄÊÇv11.01ºÍv12°æµÄ£¬°´ÍøÉϵÄ˵·¨£¬ÕâÁ½¸ö°æ±¾Ó¦¸ÃÊÇûÓÐÎÊÌâµÄ¡£ÓÐûÓÐÄÇλÈÊÐÖÓÐÀàËÆ¾­Ñé½»Á÷һϣ¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

zhouxiaodi

гæ (³õÈëÎÄ̳)

²¹³äÒ»ÏÂ

gamessҲû·´Ó¦ÁË£¬Ô­À´¶¼ÊÇ¿ÉÓõġ£
2Â¥2010-05-04 21:39:48
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

yytsnake

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
³ýÁËGAMESS£¬ÆäËüµÄÊÇ·ñÓ¦¸ÃΪµ¥¶À×é¼þ£¿Ó¦¸Ãµ¥¶ÀÏÂÔØ£¬È»ºó°²×°µ½Ö¸¶¨Î»Öã¿
3Â¥2010-05-05 10:30:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

vflash

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

ѹÁ¦É½´ó

¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
4Â¥2010-08-23 12:51:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

w435988

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by zhouxiaodi at 2010-05-04 14:45:19:
ÈçÌ⣬ÎÒ°´ÕÕÍøÉÏÇ¿ÈË·¢ÏÖµÄchemofficeʹÓÃmopacµÄ·½·¨ÏÂÔØ²¢×¢²áÁËmopac£¬ÔÚchem3dÖÐÒ²³öÏÖÁËmopacµÄ½çÃæ£¬Èçͼ
[IMG]http://image161.poco.cn/mypoco/myphoto/20100504/14/5521552720100504144401042.jpg[/IMG ...

Â¥Ö÷ÊÇÔõô°ÑmopacŪ½øÈ¥µÄ°¡£¬¸øÒ»Ï¾ßÌå²½Öè°¡
Anythingwillgiveupitssecretsifyouloveitenough!
5Â¥2011-03-05 14:42:00
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÖíÖí°®³ÔÈâ

Ìú³æ (³õÈëÎÄ̳)

LZ¿ÉÒÔ½ÌÏÂÃâ·Ñ°æ±¾µÄmopacÐí¿ÉÖ¤ÔõôË÷È¡µÄÂ𣿷¢ËÍÓʼþµ½Ö¸¶¨ÓÊÏäË÷ȡû»ØÒôÄØ
6Â¥2012-11-27 16:38:02
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

leonlu

ľ³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
Â¥Ö÷£¬Õâ¸öºóÀ´ÊÇÔõô½â¾öµÄ£¬ÏÖÔÚÎÒÒ²Óöµ½Í¬ÑùµÄÎÊÌ⣬Ū²»³öÀ´°¡¡£ÇëÖ¸½Ì£¬Ð»Ð»¡£
7Â¥2013-04-14 00:21:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ zhouxiaodi µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 333Çóµ÷¼Á +4 87639 2026-03-21 4/200 2026-03-21 17:18 by ѧԱ8dgXkO
[¿¼ÑÐ] ²ÄÁÏ 271Çóµ÷¼Á +4 Õ¹ÐÅÔÃ_ 2026-03-21 4/200 2026-03-21 16:32 by barlinike
[¿¼ÑÐ] 286·ÖÈ˹¤ÖÇÄÜרҵÇëÇóµ÷¼ÁÔ¸Òâ¿ç¿¼£¡ +4 lemonzzn 2026-03-17 7/350 2026-03-21 16:09 by lemonzzn
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»Í¨´óѧ²ÄÁϹ¤³Ìרҵ 282·ÖÇóµ÷¼Á +8 ·ãÇÅZL 2026-03-18 10/500 2026-03-21 15:29 by Shawn0911
[¿¼ÑÐ] 324·Ö 085600²ÄÁÏ»¯¹¤Çóµ÷¼Á +4 llllkkkhh 2026-03-18 4/200 2026-03-21 01:24 by JourneyLucky
[¿¼ÑÐ] 330Çóµ÷¼Á +4 С²Ä»¯±¾¿Æ 2026-03-18 4/200 2026-03-20 23:13 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸ÖÐÄÏ»¯Ñ§£¨0703£©×Ü·Ö337Çóµ÷¼Á +8 niko- 2026-03-19 9/450 2026-03-20 21:57 by luoyongfeng
[¿¼ÑÐ] 295¸´ÊÔµ÷¼Á +8 ¼òľChuFront 2026-03-19 8/400 2026-03-20 20:44 by zhukairuo
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á £¬Áù¼¶Òѹý£¬ÓпÆÑо­Àú +13 êØÎõÙâ 2026-03-15 13/650 2026-03-20 19:35 by Dream007008
[¿¼ÑÐ] ¹ãÎ÷´óѧ¼ÒÇÝÒÅ´«ÓýÖÖ¿ÎÌâ×é2026Äê˶ʿÕÐÉú£¨½ÓÊÕ¼ÆËã»úרҵµ÷¼Á£© +3 123°¢±ê 2026-03-17 3/150 2026-03-20 15:58 by ·ÉÐÐçù
[ÂÛÎÄͶ¸å] ÉêÇë»Ø¸åÑÓÆÚÒ»¸öÔ£¬±à¼­Í¬ÒâÁË¡£µ«ÏµÍ³ÉϵÄʱ¼äû±ä£¬¸ø±à¼­ÓÖдÓʼþÁË£¬Ã»»Ø¸´ 10+3 wangf9518 2026-03-17 4/200 2026-03-19 23:55 by babero
[¿¼ÑÐ] Ò»Ö¾Ô¸¸£´ó288Óлú»¯Ñ§£¬Çóµ÷¼Á +3 Сľ³æ200408204 2026-03-18 3/150 2026-03-19 13:31 by houyaoxu
[¿¼ÑÐ] 328Çóµ÷¼Á£¬Ó¢ÓïÁù¼¶551£¬ÓпÆÑо­Àú +4 ÉúÎ﹤³Ìµ÷¼Á 2026-03-16 12/600 2026-03-19 11:10 by ÉúÎ﹤³Ìµ÷¼Á
[¿¼ÑÐ] 0703»¯Ñ§ 305Çóµ÷¼Á +4 FY_yy 2026-03-14 4/200 2026-03-19 05:54 by anny19840123
[¿¼ÑÐ] ÉúÎïѧ071000 329·ÖÇóµ÷¼Á +3 ÎÒ°®ÉúÎïÉúÎﰮΠ2026-03-17 3/150 2026-03-18 10:12 by macy2011
[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 ä¿ya_~ 2026-03-17 5/250 2026-03-17 09:25 by Winj1e
[¿¼ÑÐ] 321Çóµ÷¼Á +5 ´óÃ×·¹£¡ 2026-03-15 5/250 2026-03-16 16:33 by houyaoxu
[¿¼ÑÐ] 070305Çóµ÷¼Á +3 mlpqaz03 2026-03-14 4/200 2026-03-15 11:04 by peike
[¿¼ÑÐ] 085601²ÄÁϹ¤³Ì315·ÖÇóµ÷¼Á +3 yang_0104 2026-03-15 3/150 2026-03-15 10:58 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û