²é¿´: 683  |  »Ø¸´: 9
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ÐéÇ«

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿¼ÆËãÄÜ·ñ¼ÌÐø£¿

±£ÁôÁËchkÎļþ£¬¼ÆËã¹ý³ÌÖб»ÈËÎÞÒâÖйصô£¡·Ç³£ÓôÃÆ£¬ÄÜ·ñ¼ÌÐøËãÏÂÈ¥£¬µ¥»úwindows G03£¬Çë¸ßÊÖ°ïæ£¡
»Ø¸´´ËÂ¥
´ó¼Ò¶¼ËµÎÒÊǸöºÃÈË£¬Æäʵ£¬ÎÒÒ²ÊÇÕâôÏëµÄ~£¡
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÐéÇ«

ÖÁ×ðľ³æ (ÕýʽдÊÖ)

лл´ó¼Ò£¬ÎÒÊÇÓÅ»¯Ò»¸ö½á¹¹£¬ÓнðÊô£¬lanl2dz poptµÄ£¬¿ÉÒÔô£¿
´ó¼Ò¶¼ËµÎÒÊǸöºÃÈË£¬Æäʵ£¬ÎÒÒ²ÊÇÕâôÏëµÄ~£¡
5Â¥2008-06-12 18:32:58
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 10 ¸ö»Ø´ð

wanshidaji

Òø³æ (СÓÐÃûÆø)

¡ï ¡ï
zzgyb(½ð±Ò+2,VIP+0):ллÄãµÄ²ÎÓ룬»¯Ñ§ÇøÕýÔÚ¾Ù°ìÊ®´ó¡°ÄÍ˼¡±°æÖ÷ÆÀÑ¡£¬http://emuch.net/bbs/viewthread.php?tid=845527£¬»¶Ó­ÄãȥͶƱ֧³Ö¼ÆÄ£°æ°æÖ÷£¡
Äã´Ógaussviewdakia±»¹ØµôµÄÎļþ£¬Áí´æÒ»¸ögjf,ÖØÐ¼ÆËã¾Í¿ÉÒÔÁË£¬Ö»ÊʺÏÓÅ»¯½á¹¹¡£
2Â¥2008-06-12 11:44:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qktscdx

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
zzgyb(½ð±Ò+2,VIP+0):ллÄãµÄ²ÎÓ룬»¯Ñ§ÇøÕýÔÚ¾Ù°ìÊ®´ó¡°ÄÍ˼¡±°æÖ÷ÆÀÑ¡£¬http://emuch.net/bbs/viewthread.php?tid=845527£¬»¶Ó­ÄãȥͶƱ֧³Ö¼ÆÄ£°æ°æÖ÷£¡
´ò¿ªÄãÇ°ÃæËãµÄÎļþ£¬ÔÚÃüÁîÐмÓrestart¼´¿É£¬Èç# opt(restart) freq b3lyp/6-31g
3Â¥2008-06-12 16:25:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wxjbuilder

ľ³æ (ÖªÃû×÷¼Ò)

¡ï ¡ï
zzgyb(½ð±Ò+2,VIP+0):ллÄãµÄ²ÎÓ룬»¯Ñ§ÇøÕýÔÚ¾Ù°ìÊ®´ó¡°ÄÍ˼¡±°æÖ÷ÆÀÑ¡£¬http://emuch.net/bbs/viewthread.php?tid=845527£¬»¶Ó­ÄãȥͶƱ֧³Ö¼ÆÄ£°æ°æÖ÷£¡
ÓÐЩ¿ÉÒÔÖØÐ¼ÆË㣬ÓÐЩ²»¿ÉÒÔ
±ÈÈçopt¾Í¿ÉÒÔ£¬ipcm£¬scipcm¼ÆËãµ¥µãµÄµü´ú¾Í²»¿ÉÒÔÖØÐÂËã
FreqÀïÃæµÄ¼ÆËãÓÐÁ½ÖÖ£¬ÊýÖµ·½·¨ºÍ½âÎö·½·¨£¬½âÎö·½·¨²»ÄÜÖØÐ¼ÆËã
ÓÆÓÆÌìµØ£¬ÄκζÀÁ¢²Ô㣿
4Â¥2008-06-12 17:29:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[²©ºóÖ®¼Ò] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +6 3dfhjxgsh7 2026-02-22 9/450 2026-02-23 07:49 by w4l55oybr1
[¿¼²©] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 khieu8v8m0 2026-02-22 4/200 2026-02-23 06:46 by jsjzfl
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 8rmuugja8q 2026-02-22 6/300 2026-02-23 06:39 by w4l55oybr1
[²©ºóÖ®¼Ò] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 khieu8v8m0 2026-02-22 5/250 2026-02-23 06:34 by w4l55oybr1
[¹«Åɳö¹ú] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 khieu8v8m0 2026-02-22 5/250 2026-02-23 06:29 by w4l55oybr1
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 khieu8v8m0 2026-02-22 8/400 2026-02-23 06:24 by w4l55oybr1
[ÂÛÎÄͶ¸å] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 khieu8v8m0 2026-02-22 6/300 2026-02-23 02:08 by 5jlh3qtdvx
[¿¼²©] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +5 3dfhjxgsh7 2026-02-22 6/300 2026-02-23 02:04 by 5jlh3qtdvx
[½Ìʦ֮¼Ò] °æÃæ·Ñ¸Ã½»Âð +7 Æ»¹ûÔÚÄÄÀï 2026-02-22 8/400 2026-02-22 22:37 by otani
[»ù½ðÉêÇë] »ù½ðÕýÎÄ30Ò³Ö¸µÄÊDZ¨¸æÕýÎÄ»¹ÊÇÕû¸öÉêÇëÊé +5 successhe 2026-02-16 6/300 2026-02-22 21:38 by ɽÎ÷Ðü¿ÕË¿ÕÐüÎ
[»ù½ðÉêÇë] ÃæÉÏ¿ÉÒÔ³¬¹ý30Ò³°É£¿ +4 °¢À­¹±aragon 2026-02-22 4/200 2026-02-22 21:22 by ɽÎ÷Ðü¿ÕË¿ÕÐüÎ
[½Ìʦ֮¼Ò] ΪʲôÖйú´óѧ½ÌÊÚÃÇË®ÁËÄÇô¶àËùνµÄ¶¥»á¶¥¿¯£¬µ«»¹ÊÇ×ö²»³öÓîÊ÷»úÆ÷ÈË£¿ +5 »¶ÀÖËÌÒ¶Ýè 2026-02-21 5/250 2026-02-22 21:15 by ɽÎ÷Ðü¿ÕË¿ÕÐüÎ
[ÂÛÎÄͶ¸å] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +4 usprnugpzw 2026-02-21 6/300 2026-02-22 19:48 by w89i99eaeh
[¿¼ÑÐ] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 3dfhjxgsh7 2026-02-22 4/200 2026-02-22 16:52 by khieu8v8m0
[ÕÒ¹¤×÷] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 usprnugpzw 2026-02-22 3/150 2026-02-22 16:37 by khieu8v8m0
[¹«Åɳö¹ú] ÊÛSCIÒ»ÇøÎÄÕ£¬ÎÒ:8 O5 51O 54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 usprnugpzw 2026-02-21 4/200 2026-02-22 16:27 by khieu8v8m0
[»ù½ðÉêÇë] ¡°ÈËÎÄÉç¿Æ¶øÂÛ£¬Ðí¶àѧÊõÑо¿»¹Ã»ÓдﵽÃñ¹úʱÆÚµÄˮƽ¡± +4 ËÕ¶«ÆÂ¶þÊÀ 2026-02-18 5/250 2026-02-22 16:07 by liangep1573
[»ù½ðÉêÇë] ʲôÊÇÈËÒ»Éú×îÖØÒªµÄ£¿ +4 ˲ϢÓîÖæ 2026-02-21 4/200 2026-02-22 11:44 by huagongfeihu
[»ù½ðÉêÇë] ½ñÄê´ºÍíÓм¸¸ö½ÚÄ¿ºÜ²»´í£¬µãÔÞ£¡ +11 ˲ϢÓîÖæ 2026-02-16 12/600 2026-02-21 21:14 by lq493392203
[»ù½ðÉêÇë] ÌåÖÆÄÚ³¤±²ËµÌåÖÆÄÚ¾ø´ó²¿·ÖÒ»±²×ÓÔڵײ㣬ÈçͬÄãÃÇÒ»Ñù´ó²¿·ÖÆÕͨ½ÌʦæÇÒÊÕÈëµÍ +9 ˲ϢÓîÖæ 2026-02-20 12/600 2026-02-21 10:39 by »¶ÀÖËÌÒ¶Ýè
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û