±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1452  |  »Ø¸´: 5
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

xuefangyu09

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] ¼¤·¢Ì¬µÄɫɢÁ¦½ÃÕý

¼¤·¢Ì¬Ï ÈõÏ໥×÷ÓõÄɫɢÁ¦½ÃÕý ºÜÖØÒªÃ´£¿×î½ü×Ü¿´µ½ÎÄÏ×ÌÖÂÛDFTºÍDFT-D ·½·¨¡£µ«ÔÚ¼¤·¢Ì¬ÏÂÌÖÂ۵ĺÜÉÙ¡£¸ß˹³ÌÐòϺÃÏñÄÜË㼤·¢Ì¬µÄɫɢ½ÃÕýµÄ·ºº¯Ò²ºÜÉÙ¡£½ñÌì²âÊÔÏÂwB97XD ¿ÉÒÔ£¬²»ÖªµÀ»¹ÓÐûÓÐÆäËûµÄ·ºº¯¿ÉÒÔ×öɫɢ½ÃÕý£¿
»¹ÓкÜÏëÖªµÀ GAMESSÏ ÔÚ¼¤·¢Ì¬ÏÂÄÜËãɫɢ½ÃÕýô£¿½ñÌì²âÊÔÁËÒ»¸ö ¸Ð¾õgamess»¹Ã»Óм¤·¢Ì¬µÄɫɢ½ÃÕý¡£²»ÖªµÀÕâÑùµÄÀí½â¶Ô²»¶Ô£¿
ÓÐľÓÐ ÎÄÏ׿ÉÒԲο¼Ï£¿
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xuefangyu09

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by mscic at 2011-06-27 17:11:01:
¾Ý˵Zhao YµÄDFT¿ÉÒÔ£¬¼ûÎÄÕÂJ.Chem.Thero.Comput. 2.364(2006)

3Â¥2011-06-28 16:53:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 6 ¸ö»Ø´ð

mscic

½ð³æ (ÕýʽдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
Сºì¶¹(½ð±Ò+2): лл 2011-06-28 10:17:13
¾Ý˵Zhao YµÄDFT¿ÉÒÔ£¬¼ûÎÄÕÂJ.Chem.Thero.Comput. 2.364(2006)
2Â¥2011-06-27 17:11:01
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

6868DSL

гæ (СÓÐÃûÆø)

ÄãºÃ£ºÎÒÒ²ÏëÖªµÀÕâ·½ÃæµÄÄÚÈÝ£¬ÇëÎʼ¤·¢Ì¬Óò»ÓÃ×÷ɫɢ½ÃÕý£¿
4Â¥2014-09-22 15:28:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

xuefangyu09

ľ³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
4Â¥: Originally posted by 6868DSL at 2014-09-22 15:28:50
ÄãºÃ£ºÎÒÒ²ÏëÖªµÀÕâ·½ÃæµÄÄÚÈÝ£¬ÇëÎʼ¤·¢Ì¬Óò»ÓÃ×÷ɫɢ½ÃÕý£¿

¸ù¾Ý×Ô¼ºµÄÌåϵÅжϡ£
5Â¥2014-09-24 11:25:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 266Çóµ÷¼Á +11 ÑôÑôÍÛÈû 2026-03-27 12/600 2026-03-27 17:56 by yu221
[¿¼ÑÐ] 0703»¯Ñ§ +6 ÄÝÄÝninicgb 2026-03-27 6/300 2026-03-27 17:18 by shangxh
[¿¼ÑÐ] 0856µ÷¼Á +5 ÇóÇóÈÃÎÒÓÐÊé¶Á° 2026-03-26 6/300 2026-03-27 15:12 by caszguilin
[¿¼ÑÐ] 308Çóµ÷¼Á +7 īīĮ 2026-03-25 7/350 2026-03-27 14:47 by ¿ñìÅÂóµ±µ±
[¿¼ÑÐ] 333Çóµ÷¼Á +3 questionÍì·ç 2026-03-23 3/150 2026-03-27 11:29 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] Ò»Ö¾Ô¸¼ª´ó071010£¬316·ÖÇóµ÷¼Á +3 xgbiknn 2026-03-27 3/150 2026-03-27 10:36 by guoweigw
[¿¼ÑÐ] 0703»¯Ñ§338Çóµ÷¼Á£¡ +6 Zuhui0306 2026-03-26 7/350 2026-03-27 10:35 by shangxh
[¿¼ÑÐ] 286Çóµ÷¼Á +4 lim0922 2026-03-26 4/200 2026-03-27 10:28 by guoweigw
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ ÄϾ©º½¿Õº½Ìì´óѧ´óѧ £¬080500²ÄÁÏ¿ÆÑ§Ó빤³Ìѧ˶ +4 @taotao 2026-03-26 5/250 2026-03-27 08:10 by hypershenger
[¿¼ÑÐ] µ÷¼ÁÇóÊÕÁô +7 ¹ûÈ»ÓÐÎÒ 2026-03-26 7/350 2026-03-27 00:26 by wxiongid
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ£¬080500ѧ˶£¬×Ü·Ö317·ÖÇóµ÷¼Á +4 ¾Ù¸öÀõ×Óoi 2026-03-24 5/250 2026-03-26 23:15 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 324Çóµ÷¼Á +4 wysyjs25 2026-03-21 4/200 2026-03-26 20:38 by fmesaito
[¿¼ÑÐ] Ò»Ö¾Ô¸211 ³õÊÔ270·Ö Çóµ÷¼Á +6 ¹ÈÓêÉϰ¶ 2026-03-23 7/350 2026-03-26 18:55 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] ²ÄÁÏ¿¼ÑÐÇóµ÷¼Á +3 Dendel 2026-03-23 6/300 2026-03-26 17:51 by fmesaito
[¿¼ÑÐ] 271Çóµ÷¼Á +6 ÉúÈçÏÄ»¨¡­ 2026-03-22 6/300 2026-03-26 16:48 by ÕÅ¿­Ê®°ËºÅ
[¿¼ÑÐ] 334·Ö Ò»Ö¾Ô¸ÎäÀí ²ÄÁÏÇóµ÷¼Á +4 ÀîÀî²»·þÊä 2026-03-26 4/200 2026-03-26 16:00 by ²»³Ôô~µÄ؈
[¿¼ÑÐ] 081700 µ÷¼Á 267·Ö +11 ÃÔÈ˵Ĺþ¹þ 2026-03-23 11/550 2026-03-26 15:41 by zzll406
[¿¼ÑÐ] ѰÕÒµ÷¼Á +5 ¾óǿâ? 2026-03-21 8/400 2026-03-26 13:25 by 0906ljy
[¿¼ÑÐ] 300·Ö£¬²ÄÁÏ£¬Çóµ÷¼Á£¬Ó¢Ò»Êý¶þ +5 ³¬ÔÞµÄ 2026-03-24 5/250 2026-03-24 21:07 by ÐÇ¿ÕÐÇÔÂ
[¿¼ÑÐ] »¯¹¤×¨Ë¶Çóµ÷¼Á +3 questionÍì·ç 2026-03-24 3/150 2026-03-24 18:48 by jhhcooi
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û