24СʱÈÈÃŰæ¿éÅÅÐаñ    

Znn3bq.jpeg
²é¿´: 2235  |  »Ø¸´: 7

ÉÜÃô¿¤Ö÷

ľ³æ (ÖøÃûдÊÖ)

[½»Á÷] ¹ØÓÚ¹íÔ­×Ó£¬ÇëÎÊÎÄÏ×ÖеÄÕâ¾ä»°ÊÇʲôÒâ˼£¿ ÒÑÓÐ1È˲ÎÓë

¡°To ensure sufficient flexibility of the basis set, additional basis functions were added at the center of the molecules.¡±
·Ö×ÓÖÐÐÄÊÇûÓÐÔ­×ӵģ¬ÊÇ˵¼ÓÒ»¸ö¹íÔ­×ÓÂð£¿ÎªÊ²Ã´Òª¼Ó£¿
лл¡£
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
2Â¥2014-05-03 16:47:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
3Â¥2014-05-03 16:56:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ptf6

ľ³æ (СÓÐÃûÆø)

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÉÜÃô¿¤Ö÷: ½ð±Ò+5 2014-05-03 23:00:10
¹íÔ­×ÓûÌý˵¹ý£¬Ö»ÖªµÀ¹í»ùº¯Êý£¬³ö×ÔBSSEУÕý
4Â¥2014-05-03 19:22:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÉÜÃô¿¤Ö÷

ľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by ptf6 at 2014-05-03 19:22:13
¹íÔ­×ÓûÌý˵¹ý£¬Ö»ÖªµÀ¹í»ùº¯Êý£¬³ö×ÔBSSEУÕý

лл¡£ÄǾäÓ¢ÎÄÊÇʲôÒâ˼£¿
5Â¥2014-05-03 19:46:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jinwei331

ÖÁ×ðľ³æ (ÎÄ̳¾«Ó¢)

¡­¡­¡­¡­¡­¡­¡­¡­¡­¡­
6Â¥2014-05-03 20:33:36
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

beefly

ר¼Ò¹ËÎÊ (Ö°Òµ×÷¼Ò)

µØ¹µÓÍÒ±Á¶×¨¼Ò

¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
gmy1990: ½ð±Ò+3 2014-05-03 22:22:41
ÉÜÃô¿¤Ö÷: ½ð±Ò+10, лл 2014-05-03 23:00:20
¼ÆËãһЩ»·×´¡¢Áý×´·Ö×ÓµÄʱºò£¬¾­³£ÒªÎª¹Ç¼ÜÔ­×Ó¼ÓÉÏһЩÃÖÉ¢º¯Êý£¨ÀýÈçË㼤·¢Ì¬£©¡£Õâ²»½ö»áʹ¼ÆËãÁ¿±äµÃºÜ´ó£¬¶øÇÒÈÝÒ×·¢Éú»ù×éÏßÐÔÒÀÀµ»òÕßÄÑÊÕÁ²µÄÎÊÌâ¡£Ò²¿ÉÒÔÔÚ·Ö×ÓÖÐÐÄÉèÖÃÒ»¸ö´øÓÐÃÖÉ¢º¯ÊýµÄ¹íÔ­×Ó£¬ÆäËûÔ­×Ó²»¼ÓÃÖÉ¢º¯Êý£¬¿ÉÒÔ±ÜÃâÉÏÊöÎÊÌâ¡£
beefly¡¶Î÷̫ƽÑó´óѧÏÖ´úÓ¢ºº´Êµä¡·[bi:fli]Å£ÈâÒ»°ãµØ
7Â¥2014-05-03 21:04:35
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

candyÑÅÑÅ04

½ð³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
7Â¥: Originally posted by beefly at 2014-05-03 21:04:35
¼ÆËãһЩ»·×´¡¢Áý×´·Ö×ÓµÄʱºò£¬¾­³£ÒªÎª¹Ç¼ÜÔ­×Ó¼ÓÉÏһЩÃÖÉ¢º¯Êý£¨ÀýÈçË㼤·¢Ì¬£©¡£Õâ²»½ö»áʹ¼ÆËãÁ¿±äµÃºÜ´ó£¬¶øÇÒÈÝÒ×·¢Éú»ù×éÏßÐÔÒÀÀµ»òÕßÄÑÊÕÁ²µÄÎÊÌâ¡£Ò²¿ÉÒÔÔÚ·Ö×ÓÖÐÐÄÉèÖÃÒ»¸ö´øÓÐÃÖÉ¢º¯ÊýµÄ¹íÔ­×Ó£¬ÆäËûÔ­ ...

ÄúºÃ£¡ÇëÎÊÄúÓйØÓÚ¹íÔ­×ÓµÄÎÄÏ×ô£¿½éÉܸøÎÒ°É£¬Ð»Ð»Äú£¡
ŬÁ¦×ö×Ô¼ºÏ²»¶µÄÊÂ.........
8Â¥2014-05-07 14:56:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ ÉÜÃô¿¤Ö÷ µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] µç×ÓÐÅÏ¢270Çóµ÷¼Á +18 terminal469 2026-04-07 18/900 2026-04-12 16:23 by ajpv·çÀ×
[¿¼ÑÐ] 0831Ò»ÂÖµ÷¼Áʧ°ÜÇóÖú +9 СÐÜî£î£_s 2026-04-11 9/450 2026-04-12 14:18 by À¥¹¤¸ßÐÀ
[¿¼ÑÐ] ±¾¿ÆÄÏ·½Ò½¿Æ´óѧ Ò»Ö¾Ô¸985 ҩѧѧ˶284·Ö Çóµ÷¼Á +5 ÈõË®ÌýÎÄ 2026-04-09 5/250 2026-04-12 13:16 by shengxi123
[¿¼ÑÐ] 26×ÔÈ»µØÀíѧ303·ÖÇóµ÷¼Á +6 Ò»Õ½³É˶°¡°¡°¡° 2026-04-06 11/550 2026-04-11 21:27 by Åáºêΰ
[¿¼ÑÐ] 274Çóµ÷¼ÁÇóµ÷¼Á +11 Jachenbingoo 2026-04-06 14/700 2026-04-11 11:37 by ×ÏêØ×ÏÆå
[¿¼ÑÐ] 298Çóµ÷¼Á +5 ²ÐºÉÐÂÁø 2026-04-07 5/250 2026-04-11 11:02 by ×ÏêØ×ÏÆå
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤µ÷¼Á 10+11 ÏÂÒ»Õ¾Éϰ¶@ 2026-04-10 36/1800 2026-04-11 10:26 by 89436494
[¿¼ÑÐ] ÖÐҩѧµ÷¼Á ³õÊÔ324 +4 Ñó¸Ê¾Õ¡¢ 2026-04-10 6/300 2026-04-11 09:41 by gong120082
[¿¼ÑÐ] ²ÄÁÏ085601µ÷¼Á +25 ºÎÈó²É123 2026-04-10 27/1350 2026-04-10 23:17 by Ftglcn90
[²ÄÁϹ¤³Ì] ²ÄÁϵ÷¼ÁÍÆ¼ö +8 µ°¸âx2 2026-04-07 8/400 2026-04-10 23:13 by Ftglcn90
[¿¼ÑÐ] µ÷¼Á +12 ¾í¾í¾íÐIJË_ 2026-04-09 13/650 2026-04-10 22:36 by Ftglcn90
[¿¼ÑÐ] 282£¬µçÆø¹¤³Ìרҵ£¬Çóµ÷¼Á£¬²»Ìôרҵ +9 jggshjkkm 2026-04-10 9/450 2026-04-10 14:55 by ÄæË®³Ë·ç
[¿¼ÑÐ] 292Çóµ÷¼Á +9 ЦЦԬ 2026-04-09 9/450 2026-04-10 10:05 by LHGeng
[¿¼ÑÐ] Çóµ÷¼ÁÏ£Íû»¹ÊÇÏ£ÍûÔÚɽºÓËÄÊ¡¸½½ü +3 ¿ìÀÖµÄС°×¸ë 2026-04-05 3/150 2026-04-09 17:36 by wp06
[¿¼ÑÐ] 353Çóµ÷¼Á +8 Çç¿ÕÍòÀïair 2026-04-07 8/400 2026-04-09 00:18 by GouQ
[¿¼ÑÐ] ÍÁľˮÀûר˶276·ÖÇóµ÷¼Á +6 ÎÒÏëÉÏѧ£¡£¡6 2026-04-05 9/450 2026-04-08 17:45 by ËÎС±¦HQ
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ085600Çóµ÷¼Á +21 ³ÔµÄ²»ÉÙ 2026-04-05 24/1200 2026-04-08 16:47 by sunhuadong
[¿¼ÑÐ] Ò»Ö¾Ô¸»ª¶«Àí¹¤085601²ÄÁϹ¤³Ì303·ÖÇóµ÷¼Á +15 a1708 2026-04-06 15/750 2026-04-08 16:23 by luoyongfeng
[¿¼ÑÐ] 281Çóµ÷¼Á +10 Ò¬×ÓÄ¢¹½ 2026-04-06 10/500 2026-04-08 11:43 by zzucheup
[¿¼ÑÐ] 305Çóµ÷¼Á +4 77Qi 2026-04-06 4/200 2026-04-07 20:06 by shanqishi
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û