±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 6949  |  »Ø¸´: 24

wd12309812

Í­³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
14Â¥: Originally posted by rainxin2008 at 2012-12-30 11:40:15
ÄãµÄÎÄÏס°Adsorption of thiophene on copper surfaces: role of the dispersion force and electron-corehole interaction¡±ÖеÄRPBEÊÇÒ»ÖÖ½»»»¹ØÁªº¯»¹ÊÇØÍÊÆ£¿ÎÒÖ»ÖªµÀÄã˵µÄPBE-D¾ÍÊÇDFT-D·½·¨£¬¿ÉÊÇRPBE-DÊÇ ...

ÇëÎÊÕ⼸ÖÖ·½·¨¶¼ÓÐÐ©Ê²Ã´Çø±ð°¡£¬¸Õ½Ó´¥vdw¼ÆË㣬²»¶®°¡
21Â¥2015-07-22 16:59:57
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Óкβ»¿ÉÇí

Òø³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÒýÓûØÌû:
11Â¥: Originally posted by wei.ji at 2012-12-29 22:12:56
dft-dÀïÃæµÄdÖ»ÊǸö°ë¾­ÑéÐÞÕýÏ˵µÃÖ±°×Ò»µã£¬ÄÇÏî±¾ÖÊÉÏÊÇ´ÕÊý£¬ÎïÀíÒâÒå²¢²»Ã÷È·¡£²»ÄÜÒòΪdispersionÐÞÕýÖ®ºóÎü¸½Äܱä´óÁ˾ÍÈÏΪÎü¸½ÊÇdispersionµÄ×÷Óá£

ÄãÕâÀïµÄÎü¸½ÄÜ£¬Ó¦¸ÃÈ¡-0.3eV¡£ÁíÍ⣬»¯Ñ§Îü¸½Èç ...

ÄúºÃ£¬DFT-DºÍDFT-D2£¬vdw-DF£¬vdw-DF2ÓÐÊ²Ã´Çø±ðÄØ£¿ÎÒÖ»ÖªµÀºóÃæÁ½¸ö£¬Ç°ÃæÁ½¸ö²»Á˽⡣¿É·ñÆÕ¶ÉÒ»ÏÂÎÒ~~~£¿
ÓÅÐãµÄÑо¿Ô±ÊÇ×Ô¼ºÑ§³öÀ´µÄ
22Â¥2016-12-08 20:25:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Óкβ»¿ÉÇí

Òø³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

ÒýÓûØÌû:
11Â¥: Originally posted by wei.ji at 2012-12-29 22:12:56
dft-dÀïÃæµÄdÖ»ÊǸö°ë¾­ÑéÐÞÕýÏ˵µÃÖ±°×Ò»µã£¬ÄÇÏî±¾ÖÊÉÏÊÇ´ÕÊý£¬ÎïÀíÒâÒå²¢²»Ã÷È·¡£²»ÄÜÒòΪdispersionÐÞÕýÖ®ºóÎü¸½Äܱä´óÁ˾ÍÈÏΪÎü¸½ÊÇdispersionµÄ×÷Óá£

ÄãÕâÀïµÄÎü¸½ÄÜ£¬Ó¦¸ÃÈ¡-0.3eV¡£ÁíÍ⣬»¯Ñ§Îü¸½Èç ...

ÄúºÃ£¬DFT-DºÍDFT-D2£¬vdw-DF£¬vdw-DF2ÓÐÊ²Ã´Çø±ðÄØ£¿ÎÒÖ»ÖªµÀºóÃæÁ½¸ö£¬Ç°ÃæÁ½¸ö²»Á˽⡣¿É·ñÆÕ¶ÉÒ»ÏÂÎÒ~~~£¿
ÓÅÐãµÄÑо¿Ô±ÊÇ×Ô¼ºÑ§³öÀ´µÄ
23Â¥2016-12-11 12:28:16
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

zhangfrank

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
23Â¥: Originally posted by Óкβ»¿ÉÇí at 2016-12-11 12:28:16
ÄúºÃ£¬DFT-DºÍDFT-D2£¬vdw-DF£¬vdw-DF2ÓÐÊ²Ã´Çø±ðÄØ£¿ÎÒÖ»ÖªµÀºóÃæÁ½¸ö£¬Ç°ÃæÁ½¸ö²»Á˽⡣¿É·ñÆÕ¶ÉÒ»ÏÂÎÒ~~~£¿...

ÄãºÃ ÇëÎÊÄãŪ¶®DFT-DºÍDFT-D2£¬vdw-DF£¬vdw-DF2ÓÐÊ²Ã´Çø±ð ·Ö±ðÓÃÓÚʲôÌåϵÁËô£¿
¼ÆËã˳Àûµã°É
24Â¥2017-03-01 21:15:19
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÓêºóÊÇÉË

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÇëÎÊÂ¥Ö÷£¬ÄúÔÚ¼ÆËãdosºÍbandʱ£¬ÓÐûÓаÑÕâ6Ïî·¶µÂ»ªÁ¦µÄ²ÎÊý¼ÓÔÚINCARÖÐÀ´¼ÆËãDOS£¬band
25Â¥2018-07-26 20:37:10
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ likai0106 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 320·ÖÈ˹¤ÖÇÄܵ÷¼Á +8 Õñ¡ªTZ 2026-04-03 8/400 2026-04-05 22:33 by ·¶Ê½Ë¼Î¬
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +7 ´ó²öС×Ó 2026-04-01 8/400 2026-04-05 21:19 by ѧԱ8dgXkO
[¿¼ÑÐ] 324Çóµ÷¼Á +9 ÏëÉÏѧÇóµ÷ 2026-04-03 9/450 2026-04-04 23:57 by ¹û¶³´óÍõ
[¿¼ÑÐ] 325Çóµ÷¼Á +4 ´º·ç²»½èÒâ 2026-04-04 4/200 2026-04-04 22:08 by à£à£à£0119
[¿¼ÑÐ] 341Çóµ÷¼Á +3 Âå¶àÂÞ 2026-04-02 4/200 2026-04-04 21:36 by ÖÇÄÜÖÇ»Û
[¿¼ÑÐ] 298Çóµ÷¼Á +5 zzz£¬£¬r 2026-04-02 8/400 2026-04-04 19:55 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 321Çóµ÷¼Á +6 ÈÏÕæÇóÉÏѧ 2026-04-03 6/300 2026-04-04 19:51 by dongzh2009
[¿¼ÑÐ] 11408 Ò»Ö¾Ô¸Î÷µç£¬277·ÖÇóµ÷¼Á +4 zhouzhen654 2026-04-03 4/200 2026-04-04 18:10 by Öí»á·É
[¿¼ÑÐ] ÔõôɾÌû×Ó°¡ +3 ·ìêØ1000 2026-04-04 3/150 2026-04-04 14:20 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 15615482637 2026-04-03 3/150 2026-04-03 22:50 by ms629
[¿¼ÑÐ] ²ÄÁÏ¿ÆÑ§Ó빤³Ì339Çóµ÷¼Á +12 hyz0119 2026-03-31 13/650 2026-04-03 18:33 by lsÁõ˧
[¿¼ÑÐ] ¹¤¿Æ 267Çóµ÷¼Á +5 wanwan00 2026-04-02 7/350 2026-04-03 14:14 by zhangdingwa
[¿¼ÑÐ] 11408£¬284·Ö£¬¶þÕ½Õæ³ÏÇóµ÷¼Á +4 12.27 2026-04-02 4/200 2026-04-03 14:14 by dxiaoxin
[¿¼ÑÐ] 085600ר˶²ÄÁÏÓ뻯¹¤348·ÖÇóµ÷¼Á +10 ÉÏѧÀ²£¡ 2026-04-01 11/550 2026-04-03 14:13 by °ÙÁéͯ888
[¿¼ÑÐ] Çóµ÷¼Á +3 ÐÄÏëÊÂ³É¿É 2026-04-03 3/150 2026-04-03 11:22 by wangjy2002
[¿¼ÑÐ] 366Çóµ÷¼ÁÒ»Ö¾Ô¸¶«±±´óѧ +8 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 8/400 2026-04-02 21:39 by dongzh2009
[¿¼ÑÐ] Çóµ÷¼Á +7 Aniyaio 2026-04-02 7/350 2026-04-02 16:42 by zzsw+
[¿¼ÑÐ] ũѧ¿¼ÑÐÇóµ÷¼Á +3 dkdkxm 2026-04-01 3/150 2026-04-02 16:04 by wangjagri
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ085601²ÄÁϹ¤³ÌÓ¢Ò»Êý¶þ³õÊÔ×Ü·Ö335Çóµ÷¼Á +5 Ë«ÂíβƦÀϰå2 2026-03-31 5/250 2026-04-01 09:04 by oooqiao
[¿¼ÑÐ] 297 µØÀíѧ070500 ¸´ÊÔÇóµ÷¼Á +3 СԲȦȦooo 2026-03-30 3/150 2026-03-30 21:05 by ÓàÕðyz
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û