±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 349  |  »Ø¸´: 3
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

lee-town

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿¹ØÓÚÒ»¸ö»ù×éµÄÎÊÌâ

ÐÂÊÖÇëÎÊÒ»¸öÓ×ÖɵÄÎÊÌ⣬ÇëÎÊagu-cc-pVTZ»ù×éÖУ¬aguµÄº¬ÒåÊÇʲô£¿
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

galaxyqtm

½ð³æ (СÓÐÃûÆø)

¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
yjcmwgk(½ð±Ò+1): 2010-03-06 10:21
aug-cc-pVTZ, means VTZ2PD Valence Triple Zeta + Polarization + Diffuse
                                                                                             ----------
3Â¥2010-03-06 00:17:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 4 ¸ö»Ø´ð

c111999

Í­³æ (СÓÐÃûÆø)

¡ï
yjcmwgk(½ð±Ò+1): 2010-03-06 21:21
agu°¢¹Å£¿
agumented°¢¹ÅÃÅÍ¥¶ñ¶·£¿
augmented£¿
http://en.wikipedia.org/wiki/Basis_set_(chemistry)
diffuse functions, denoted in Pople-type sets by a plus sign, +, and in Dunning-type sets by "aug" (from "augmented".
2Â¥2010-03-05 22:45:49
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

lee-town

½ð³æ (ÕýʽдÊÖ)

лл£¬ÊÜÒæ·Ëdz£¡£¡£¡
4Â¥2010-03-06 10:57:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 298Çóµ÷¼Á +4 manman511 2026-04-05 4/200 2026-04-05 08:34 by 1753564080
[¿¼ÑÐ] 301Çóµ÷¼Á +11 121. 2026-04-04 11/550 2026-04-05 08:22 by 544594351
[¿¼ÑÐ] Çóµ÷¼Á Ò»Ö¾Ô¸Î÷ÄϽ»Í¨´óѧ085701»·¾³¹¤³Ì 282·Ö +5 ¶à¶à°®³Ôºº±¤ 2026-04-04 5/250 2026-04-04 22:14 by à£à£à£0119
[¿¼ÑÐ] 0703Çóµ÷¼Á383·Ö +8 W55j 2026-04-03 8/400 2026-04-04 20:09 by xhai2011
[¿¼ÑÐ] 0835ѧ˶299Çóµ÷¼Á 08´óÀà¿É½ÓÊÜ +5 useryy 2026-04-03 5/250 2026-04-04 20:07 by À¶ÔÆË¼Óê
[¿¼ÑÐ] µ÷¼Á +4 ÊÇ¿ÉÀÖ²»ÊÇ¿ÉÀÖ 2026-04-04 4/200 2026-04-04 19:41 by ÌÆãå¶ù
[¿¼ÑÐ] Ò»Ö¾Ô¸ÎäÀí²ÄÁϹ¤³Ì302µ÷¼Á»·»¯»ò»¯¹¤ +19 Doleres 2026-03-31 20/1000 2026-04-04 16:44 by °¡¿¡£¡
[¿¼ÑÐ] Çóµ÷¼Á£º085600²ÄÁÏÓ뻯¹¤£¬¿¼²Ä¿Æ»ù£¬×Ü·Ö319 +21 678lucky 2026-03-31 26/1300 2026-04-04 16:22 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¶û±õ¹¤Òµ´óѧ085600Ó¢Ò»Êý¶þ337·ÖÇóµ÷¼Á +11 lyz0427 2026-04-03 11/550 2026-04-04 15:31 by dongzh2009
[¿¼ÑÐ] Ò»Ö¾Ô¸±±¾©¿Æ¼¼´óѧ²ÄÁϹ¤³Ì085601£¬Çóµ÷¼Á +17 cdyw 2026-04-02 18/900 2026-04-04 11:14 by w_xuqing
[¿¼ÑÐ] Ó¢Ò»ÊýÒ»408£¬×Ü·Ö284£¬¶þÕ½Õæ³ÏÇóµ÷¼Á +13 12.27 2026-03-30 15/750 2026-04-03 14:41 by µªÆøÆøÆø
[¿¼ÑÐ] ¹¤¿Æ 267Çóµ÷¼Á +5 wanwan00 2026-04-02 7/350 2026-04-03 14:14 by zhangdingwa
[¿¼ÑÐ] 283Çóµ÷¼Á +3 jiouuu 2026-04-03 4/200 2026-04-03 13:28 by jiouuu
[¿¼ÑÐ] 285Çóµ÷¼Á +6 FZAC123 2026-03-30 6/300 2026-04-03 12:22 by xingguangj
[¿¼ÑÐ] 285Çóµ÷¼Á +7 AZMK 2026-04-02 9/450 2026-04-03 11:12 by wanwan00
[¿¼ÑÐ] 366Çóµ÷¼ÁÒ»Ö¾Ô¸¶«±±´óѧ +8 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 8/400 2026-04-02 21:39 by dongzh2009
[¿¼ÑÐ] 285Çóµ÷¼Á +8 AZMK 2026-04-02 11/550 2026-04-02 20:16 by yulian1987
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +3 masss11222 2026-04-02 3/150 2026-04-02 18:11 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] Çóµ÷¼Á +4 DADA¹Ö 2026-03-31 4/200 2026-04-01 14:30 by ZXlzxl0425
[¿¼ÑÐ] 266Çóµ÷¼Á +3 ÍÛºôºßºôºß 2026-03-29 3/150 2026-03-31 10:06 by cal0306
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û