²é¿´: 1043  |  »Ø¸´: 4

undead

Òø³æ (ÕýʽдÊÖ)

[ÇóÖú] the limitations of the DFT calculations

ÓÐË­ÖªµÀ the limitations of the DFT calculations to high temperature thermodynamics and kinetics
×îºÃÄÜÌṩÎÄÏ×£¬²»Éõ¸Ð¼¤£¡
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

fehwu

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
pzypdl: ½ð±Ò+1, ¸Ðл½»Á÷ 2013-04-21 23:17:52
undead(cxqtitan´ú·¢): ½ð±Ò+2, лл·ÖÏí 2013-07-13 16:48:50
ÄãÕâ¸ö¿Ï¶¨ÊÇÔÚÎÄÏ×Àï¿´µ½µÄ°É£¬Äã¿´¿´ÎÄÕÂÀïÊÇÔõô˵µÄ£¬ÓÐûÓжþ´ÎÒýÓÃÖ®ÀàµÄ£¬ÍùÉϲ飬¿Ï¶¨ÊÇ»áÓÐÎÄÏ×À´Ö§³ÖµÄ¡£ÕâЩÊǼÆËãÀïÃæµÄ£¬²»ÊÇÌ«»á£¬DFT»¹ÊÇÖªµÀµÄ
Áô²»×¡Ê±¼äµÄ±³Ó°£¬»»À´²×º£É£ÌïµÄ¼ÇÒä
2Â¥2013-04-21 23:05:50
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÁõÁáÁá00

½ð³æ (ÕýʽдÊÖ)

ÄãºÃ£¬ÎÒºÜÏëÖªµÀ  DFT calculationsÓ¦¸ÃÔõô·­Ò룬ÎÒÊÇÍâÐУ¬µ«ÊDz»Ð¡ÐÄ¿´µ½Õâ¸ö´Ê×飬»¹ÏëÎÊÏÂDFTÊDz»ÊǼÆËã»úÄ£Ä⣿
3Â¥2013-05-03 20:09:28
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

readytogo

ÈÙÓþ°æÖ÷ (ÎÄѧ̩¶·)

¹Ï˧-´ß»¯¼Á

ÓÅÐãÇø³¤ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï ¡ï
pzypdl: ½ð±Ò+1, лл»ØÌû½»Á÷ 2013-05-04 11:47:28
undead(cxqtitan´ú·¢): ½ð±Ò+2, лл·ÖÏí 2013-07-13 16:48:58
ÒýÓûØÌû:
3Â¥: Originally posted by ÁõÁáÁá00 at 2013-05-03 20:09:28
ÄãºÃ£¬ÎÒºÜÏëÖªµÀ  DFT calculationsÓ¦¸ÃÔõô·­Ò룬ÎÒÊÇÍâÐУ¬µ«ÊDz»Ð¡ÐÄ¿´µ½Õâ¸ö´Ê×飬»¹ÏëÎÊÏÂDFTÊDz»ÊǼÆËã»úÄ£Ä⣿

Ãܶȷºº¯(DFT)·½·¨

http://wenku.baidu.com/view/b2963818227916888486d754.html
²ÅÐëѧҲ£¬·ÇѧÎÞÒÔ¹ã²Å£¬·ÇÖ¾ÎÞÒÔ³Éѧ¡£¡¾¿ÆÑÐÉú»îÇø¡¿¡¢¡¾Ì¼Ò»»¯¹¤¡¿£¨Ãº¡¢ÌìÈ»Æø»¯¹¤£©»¶Ó­Äú³£À´½»Á÷
4Â¥2013-05-04 09:37:53
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

undead

Òø³æ (ÕýʽдÊÖ)

ÇóÖú½áÊø£¬Çë°æÖ÷Í˻ؽð±Ò£¬Ð»Ð»
5Â¥2013-07-13 16:24:21
ÒÑÔÄ   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ undead µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[»ù½ðÉêÇë] ͶƱ:  ÓжàÉÙÈËÊǽñÌì²éϵͳ֪µÀ½á¹ûµÄ£¿ +15 °®¿´ÊéµÄ¿ÉÀÖ 2026-08-26 17/850 2026-08-27 15:43 by xxniao123
[½Ìʦ֮¼Ò] µ¼Ê¦Í²ۣºÎÒÔõô̯ÉÏÁËÕâô¸ö¼«Æ·Ñо¿Éú£¡ +6 ËÕ¶«ÆÂ¶þÊÀ 2026-08-23 6/300 2026-08-27 13:57 by zhangjianl
[»ù½ðÉêÇë] »ù½ðδÖУ¬ÕâÖÖ´ð¸´ÊÇÄ£°åÂ𣿠+4 zhaosm1982 2026-08-27 5/250 2026-08-27 12:17 by zhaosm1982
[»ù½ðÉêÇë] Ϊʲô×ÊÖúÊý¸÷´ó¸ßУ¶¼´´Ð¸ߣ¬×Ô¼ºÉêÇëÔõô¾ÍÕâôÄÑ +5 Kittylucky 2026-08-27 5/250 2026-08-27 12:10 by ½ªÌ«¹«¿¾Óã
[ÎÄѧ·¼²ÝÔ°] ÃÎÏë +3 myrtle 2026-08-26 3/150 2026-08-27 10:01 by angelyueyi
[»ù½ðÉêÇë] ÃæÉϺÏ×÷µ¥Î»¸ÇÕ +3 ssyjh 2026-08-27 3/150 2026-08-27 09:59 by °¢À­¹±aragon
[˶²©¼ÒÔ°] ÊÛSCIÒ»ÇøT0PÎÄÕ£¬ÎÒ:8.O.55.1.O.54,¿ÆÄ¿ÆëÈ«,¿É+¼± +3 LIbGuocjEEYw 2026-08-26 4/200 2026-08-27 02:01 by Ie9AyIAvGbvs
[»ù½ðÉêÇë] 2026ÄêµÄ¹ú¼ÒÉç¿Æ»ù½ðÏîĿͨѶÆÀÉóµÄйæÔòÓëж¯Ïò¡¢ÐÂÌôÕ½ +7 process2012 2026-08-23 10/500 2026-08-26 19:23 by hmhminy
[»ù½ðÉêÇë] Ôõô²é°¡ +5 huang1991js 2026-08-26 5/250 2026-08-26 16:09 by Equinoxhua
[»ù½ðÉêÇë] ·¶½øÖоÙÒ»ÎĵÄÖÐÐÄ˼Ïë +9 Ñ׻ƹóëÐ 2026-08-22 10/500 2026-08-26 15:40 by semaglutide
[»ù½ðÉêÇë] 2026¹ú×ÔÈ»º¯ÆÀ·Ñµ½ÕË +22 ÑòÑü°å 2026-08-21 25/1250 2026-08-26 15:00 by zuocuiping
[»ù½ðÉêÇë] 2026Äê8ÔÂ25ÈÕ¹ú×ÔÈ»·Å°ñǰͻȻÊÕµ½ÁÐÈëÆÀÉóר¼ÒÓʼþ£¬ÓйØÏµÂ𣿠+25 ľˮ˼¶¹ 2026-08-25 28/1400 2026-08-26 14:53 by draco1987
[»ù½ðÉêÇë] ÄÜ·ñÍ˳ö²ÎÓëµÄÃæÉÏÏîÄ¿½â³ýÏÞÏî +23 koalala 2026-08-24 26/1300 2026-08-26 14:29 by ±¦±´³æ×Ó
[»ù½ðÉêÇë] ³öÀ´ÁË +9 trojank 2026-08-26 9/450 2026-08-26 14:25 by ±¦±´³æ×Ó
[»ù½ðÉêÇë] Ϊʲô¹ú×ÔÈ»²»ÄÜÖ±½Ó¹«²¼ +4 bjdxyxy 2026-08-26 4/200 2026-08-26 13:12 by qingmu1201
[»ù½ðÉêÇë] ¹úºÏÀïÃæÄÜ¿´µ½ÁË +7 Ò»»³Ü°Çï 2026-08-26 7/350 2026-08-26 11:23 by zhaosm1982
[»ù½ðÉêÇë] ÏîÄ¿ÐÅÏ¢ºÍ¾­·ÑÐÅÏ¢ÔÚϵͳÀï¶¼¿ÉÒÔ¿´µ½ÁË +6 wittyboy 2026-08-26 14/700 2026-08-26 10:55 by wittyboy
[Ö°³¡ÈËÉú] ѧÉúײ¼û¸¨µ¼Ô±ËÍÍâÂô£¬µÚ¶þÌìÈ«°à¶¼³ÁĬÁË +3 ¾¨ÓãÈÚ½ð_Õã½­_É 2026-08-22 3/150 2026-08-26 09:01 by zzuzxg
[»ù½ðÉêÇë] Ã÷ÌìÓ¦¸Ã¿É²éÁË£¡£¿ +6 chengyan1220 2026-08-23 6/300 2026-08-25 19:45 by zfd97
[»ù½ðÉêÇë] Èç¹û´Ë¿ÌÄãÕýÔÚΪ¹ú»ù¸Ðµ½½¹ÂÇ£¬²»·ÁÀ´ÌýÌýÕâÊס¶»ù½ðÖ®Íâ¡· +8 scalable 2026-08-24 8/400 2026-08-25 12:52 by jnhyjjm
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û