²é¿´: 1129  |  »Ø¸´: 2

acnes

½ð³æ (ÕýʽдÊÖ)

[ÇóÖú] ¹ØÓÚØÍÊÆ»ù×éSDD effective core potentials accompanying VDZ basis setÈçºÎÊäÈ룿

ÎÄÏ×ÖмÆËãRu¶ÔÓÚ»ù×éµÄÃèÊöÊÇÕâÑùÒ»¾ä»°£ºSDD effective core potentials accompanying VDZ basis set¡£²»ÖªµÀÄÄλ¸ßÊÖÖªµÀ´Ë´¦VDZ»ù×éÖ¸µÄÊÇÊ²Ã´ÄØ£¿ÒªÊÇcc-pvdzÒ²ÎÞ·¨¼ÆËãRu°¡¡£Õâ¸ö»ù×éÈçºÎÊäÈëÄØ£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

yjcmwgk

½û³æ (ÎÄ̳¾«Ó¢)

Ãܶȷºº¯¡¤Ð¡×ä

ÓÅÐã°æÖ÷

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
ºÜ¼òµ¥°¡ SDD»ù×éÓÃÀ´ÃèÊöECPºË VDZ»ù×éÓÃÀ´ÃèÊö·ÇÏà¶ÔÂÛУÕýµÄ²¨º¯Êý µÈÓÚ˵Á½¸ö»ù×é¸÷²ð³öÒ»°ë¶ùÀ´ È»ºóÖØÐÂ×é×°ÔÚÒ»Æð
µ«ÊÇÎÒ²»ÖªµÀÕâÀïµÄVDZ±íʾʲô»ù×é¡£¸ø³öԭʼÎÄÏ×°É
2Â¥2012-02-25 11:31:28
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

acnes

½ð³æ (ÕýʽдÊÖ)

àÅ£¬ÎÒÒ²ÊÇÕâôÀí½âµÄ£¬µ«ÊǸ㲻Ã÷°×Õâ¸öVDZÔõô¸öÓ÷¨¡£
Õâ¾ä»°µÄ³ö´¦ÎÄÏ×ô£¿»ØÌû²»ÖªµÀÔõôճÌùÎÄÏס£¡£¡£
ÁôÏÂÐÅÏ¢ºÃÀ²£¬ÎÄÏ×ÊÇÕâ¸öJPCC,114,2010,15165-15173£¬Õâ¾ä»°³öÏÖÔÚp15167ÖÐComputational DetailsµÄ²¿·Ö¡£
3Â¥2012-02-25 15:21:17
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ acnes µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 290Çóµ÷¼Á +6 ²ÄÁÏר˶µ÷¼Á£» 2026-02-28 7/350 2026-03-01 09:21 by L135790
[¿¼ÑÐ] 272Çóµ÷¼Á +4 ²Ä×ÏÓл¯ 2026-02-28 4/200 2026-03-01 09:20 by L135790
[ÂÛÎÄͶ¸å] ÇóÖúcoordination chemistry reviews µÄд×÷Ä£°å 10+3 ljplijiapeng 2026-02-27 4/200 2026-03-01 09:07 by babero
[¿¼ÑÐ] 284Çóµ÷¼Á +5 ÌìÏÂŸß 2026-02-28 5/250 2026-03-01 08:49 by ms629
[¿¼ÑÐ] ²ÄÁÏÀàÇóµ÷¼Á +7 wana_kiko 2026-02-28 7/350 2026-03-01 07:55 by ms629
[¿¼ÑÐ] 298Çóµ÷¼Á +5 axyz3 2026-02-28 5/250 2026-03-01 06:45 by Áõ±ø
[¿¼ÑÐ] 272Çóµ÷¼Á +4 ÌïÖÇÓÑ 2026-02-28 4/200 2026-03-01 06:43 by Áõ±ø
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +4 °®²Áº¹µÄ¿ÉÀÖ±ù 2026-02-28 4/200 2026-03-01 00:38 by èèÇòalter
[¿¼ÑÐ] 307Çóµ÷¼Á +4 73372112 2026-02-28 6/300 2026-03-01 00:04 by ll247
[¿¼ÑÐ] 304Çóµ÷¼Á +3 52hz~~ 2026-02-28 5/250 2026-03-01 00:00 by 52hz~~
[¿¼ÑÐ] 292Çóµ÷¼Á +3 yhk_819 2026-02-28 3/150 2026-02-28 21:57 by gaoxiaoniuma
[¿¼²©] 26É격 +4 ÏëÉ격£¡ 2026-02-26 4/200 2026-02-28 21:37 by limorning
[¿¼ÑÐ] ²ÄÁÏѧµ÷¼Á +5 ÌáÉñ¶¹É³°ü 2026-02-28 5/250 2026-02-28 21:34 by gaoxiaoniuma
[¿¼ÑÐ] 311Çóµ÷¼Á +8 ÄÏåÈ720 2026-02-28 8/400 2026-02-28 21:30 by gaoxiaoniuma
[¿¼ÑÐ] Çóµ÷¼Á +4 repeatt?t 2026-02-28 4/200 2026-02-28 21:16 by gaoxiaoniuma
[¿¼ÑÐ] 085600²ÄÁϹ¤³ÌÒ»Ö¾Ô¸Öпƴó×Ü·Ö312Çóµ÷¼Á +8 ³ÔÏüÒ¹1 2026-02-28 10/500 2026-02-28 20:27 by L135790
[¿¼ÑÐ] 0856²ÄÁÏÇóµ÷¼Á +10 hyf hyf hyf 2026-02-28 11/550 2026-02-28 18:50 by Î޼ʵIJÝÔ­
[¿¼²©] ²©Ê¿×Ô¼ö +3 kkluvs 2026-02-28 3/150 2026-02-28 16:59 by StarAura
[˶²©¼ÒÔ°] ²©Ê¿×Ô¼ö +6 ¿ÆÑй·111 2026-02-26 9/450 2026-02-28 12:32 by seaskyy
[»ù½ðÉêÇë] ÃæÉÏ¿ÉÒÔ³¬¹ý30Ò³°É£¿ +12 °¢À­¹±aragon 2026-02-22 13/650 2026-02-26 22:09 by Hahaxia
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û