²é¿´: 3424  |  »Ø¸´: 17

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)


±¾Ìû½öÂ¥Ö÷¿É¼û

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   ͬ·½Ïò¹ã²¥   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

MVP41

ľ³æ (СÓÐÃûÆø)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
L508ÉÏÃæµÄ´íÎóÔ­ÒòÄØ£¿
2Â¥2012-01-04 15:46:20
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)


±¾Ìû½öÂ¥Ö÷¿É¼û
3Â¥2012-01-04 16:14:37
ÒÑÔÄ   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

MVP41

ľ³æ (СÓÐÃûÆø)

¡ï ¡ï
zhou2009(½ð±Ò+2): 2012-01-04 17:06:14
ÒýÓûØÌû:
3Â¥: Originally posted by 504506217 at 2012-01-04 16:14:37:
PrismC:  NFx=      2048 NFxT=         8 NFxU=         8.
PrismC:  NFx=      2048 NFxT=         8 NFxU=         8.
LinEq1:  Iter= 15 NonCon=   0 RMS=1.03D-10 Max=3.47D-09
Linear equations con ...

1.ÏÈÓÃС»ù×飬ȻºóÔÙlinkÁ¬½ÓÄãµÄ6-31g»ù×飬¼ÓÉÏguess=read   geom=allchk
2.³¢ÊÔscf=intrep
ÎÒÒ²³öÏÖL508´íÎó£¬×ÜÊÇûÓз¢ÏÖ×îµÍµã£¬ÎÒ¼ÓÁËscf=intrepÊÕÁ²³É¹¦
×£ÄãºÃÔË£¡
4Â¥2012-01-04 16:29:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)


±¾Ìû½öÂ¥Ö÷¿É¼û
5Â¥2012-01-04 16:47:07
ÒÑÔÄ   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

zhou2009

°æÖ÷ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
gmy1990(½ð±Ò+2): 2012-01-06 21:56:01
ÔÚGVÖп´ÁËÄãµÄÏ໥×÷ÓõķÖ×Ó£¬O46ÓëH47ÐγÉÁË·Ö×ÓÄÚÇâ¼ü£¬ÁíÍâµÄ·Ö×Ó»¹°²ÅÅÓëËüÃÇÏë³ÉÇâ¼ü£¬¿ÉÄÜÊDz»ÊÕÁ²µÄÔ­Òò¡£ÒªÖØÐ°²ÅÅ·Ö×ÓÖ®¼äµÄλÖá£
6Â¥2012-01-04 17:34:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)


±¾Ìû½öÂ¥Ö÷¿É¼û
7Â¥2012-01-04 18:10:05
ÒÑÔÄ   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

zhou2009

°æÖ÷ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

504506217(½ð±Ò+5): ¡ï¡ï¡ïºÜÓаïÖú ˵µÄͦ¶ÔµÄ£¬ÎÒÊÔÊÔ 2012-01-05 08:29:12
Çâ¼üÊÇÓб¥ºÍÐԵġ£±ÈÈçO57ÓëH47ÊDz»ÄÜÔÙ³ÉÇâ¼üµÄ¡£

O61ÓëH29¿ÉÄÜÐγɵķÖ×Ó¼äÇâ¼ü£¬ÓÖî¿°íÁ˶þÕßµÄÓÅ»¯¡£
8Â¥2012-01-04 20:28:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)


±¾Ìû½öÂ¥Ö÷¿É¼û
9Â¥2012-01-05 14:09:50
ÒÑÔÄ   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

ÄäÃû

Óû§×¢Ïú (ÕýʽдÊÖ)


±¾Ìû½öÂ¥Ö÷¿É¼û
10Â¥2012-01-06 10:46:42
ÒÑÔÄ   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ 504506217 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0817 »¯Ñ§¹¤³Ì 299·ÖÇóµ÷¼Á ÓпÆÑо­Àú ÓжþÇøÎÄÕ +13 rare12345 2026-03-18 13/650 2026-03-19 17:30 by jean5056
[¿¼ÑÐ] ÕÐÊÕµ÷¼Á˶ʿ +4 lidianxing 2026-03-19 10/500 2026-03-19 16:05 by Óà÷ëÓà
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ0703»¯Ñ§318·Ö£¬ÓпÆÑо­Àú£¬Çóµ÷¼Á +3 һƿ±½¼×Ëá 2026-03-14 3/150 2026-03-19 15:17 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷°²½»Í¨´óѧ²ÄÁϹ¤³Ìרҵ 282·ÖÇóµ÷¼Á +5 ·ãÇÅZL 2026-03-18 7/350 2026-03-19 14:52 by ¹¦·ò·è¿ñ
[¿¼ÑÐ] 324·Ö 085600²ÄÁÏ»¯¹¤Çóµ÷¼Á +3 llllkkkhh 2026-03-18 3/150 2026-03-19 14:22 by houyaoxu
[¿¼ÑÐ] Çóµ÷¼Á +3 Mqqqqqq 2026-03-19 3/150 2026-03-19 14:11 by peike
[¿¼ÑÐ] »¯Ñ§Çóµ÷¼Á +3 ÁÙÔó¾³llllll 2026-03-17 4/200 2026-03-19 13:59 by houyaoxu
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ªÁÖ´óѧ²ÄÁÏѧ˶321Çóµ÷¼Á +6 Ymlll 2026-03-18 9/450 2026-03-19 10:28 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] 267Ò»Ö¾Ô¸ÄϾ©¹¤Òµ´óѧ0817»¯¹¤Çóµ÷¼Á +10 SUICHILD 2026-03-12 10/500 2026-03-19 09:51 by Delta2012
[¿¼ÑÐ] 0817µ÷¼Á +3 ûÓдð°¸_ 2026-03-14 3/150 2026-03-19 09:51 by Xu de nuo
[½Ìʦ֮¼Ò] ½¹ÂÇ +9 Ë®±ùÔÂÔÂÒ°Íà 2026-03-13 13/650 2026-03-19 09:50 by otani
[¿¼ÑÐ] 344Çóµ÷¼Á +6 knight344 2026-03-16 7/350 2026-03-18 20:13 by walc
[¿¼ÑÐ] ¡¾Í¬¼ÃÈí¼þ¡¿Èí¼þ£¨085405£©¿¼ÑÐÇóµ÷¼Á +3 2026eternal 2026-03-18 3/150 2026-03-18 19:09 by ²«»÷518
[¿¼ÑÐ] Ò»Ö¾Ô¸Î÷ÄϽ»´ó£¬Çóµ÷¼Á +4 ²Ä»¯ÖðÃÎÈË 2026-03-18 4/200 2026-03-18 14:22 by 007_lilei
[¿¼ÑÐ] 0854£¬¼ÆËã»úÀàÕÐÊÕµ÷¼Á +3 ºúÀ±ÌÀ·ÅÌÇ 2026-03-15 6/300 2026-03-18 12:09 by Éϰ¶Éϰ¶¡­¡­..
[¿¼ÑÐ] 0703»¯Ñ§336·ÖÇóµ÷¼Á +6 zbzihdhd 2026-03-15 7/350 2026-03-18 09:53 by zhukairuo
[¿¼ÑÐ] 302Çóµ÷¼Á +4 С¼Öͬѧ123 2026-03-15 8/400 2026-03-17 10:33 by С¼Öͬѧ123
[¿¼ÑÐ] 0703 ÎïÀí»¯Ñ§µ÷¼Á +3 ÎÒ¿ÉÒÔÉϰ¶µÄ¶Ô 2026-03-13 5/250 2026-03-16 10:50 by ÎÒ¿ÉÒÔÉϰ¶µÄ¶ÔÂ
[¿¼ÑÐ] 289Çóµ÷¼Á +4 ÕâôÃû×ÖÕ¦Ñù 2026-03-14 6/300 2026-03-14 18:58 by userper
[¿¼²©] ¸£ÖÝ´óѧÑî»ÆºÆ¿ÎÌâ×éÕÐÊÕ2026Äêרҵѧλ²©Ê¿Ñо¿Éú£¬2026.03.20½ØÖ¹ +3 Xiangyu_ou 2026-03-12 3/150 2026-03-13 09:36 by duanwu655
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û