Znn3bq.jpeg
²é¿´: 2687  |  »Ø¸´: 4
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

qingjing9

гæ (³õÈëÎÄ̳)

[ÇóÖú] gaussian 09 ÊäÈëm06-2x³öÏÖÓï·¨´íÎó

Çë½Ì¸ßÊÖ£¬ÎÒÔÚʹÓÃgaussian09µÄm06-2xʱ±¨´í£¬ËµÊÇÓï·¨´íÎó¡£µ«ÊäÈëm062x¾Í¿ÉÒÔÕý³£¼ÆË㣬ÇëÎÊÕâÊÇÔõô»ØÊ°¡£¿ÕâÁ½¸öÒ»ÑùÂð£¿
²¹³ä£ºÎÒÓõÄÊÇgaussian09 µÄwindows°æ¡£Ð¡³æÊôÐÂÊÖÉÏ·£¬½ð±ÒÊýÄ¿ÓÐÏÞ£¬¸÷λ´óϺ¼ûÁÂ
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

¹ý¶É̬¼ÆËã Gaussian

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

OY_OY

гæ (³õÈëÎÄ̳)

ÎÒÀÏʦ˵  Ð´ÎÄÕÂʱºòÓÃM06-2X,
ËãÊýʱºòÓÃM062X
ok£¿
Ç©¸öÃû...À²À²À²
5Â¥2012-05-25 11:01:15
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 5 ¸ö»Ø´ð

Óãåú

½ð³æ (ÖøÃûдÊÖ)

ÍÚ¿Ó²»Ìî

¡¾´ð°¸¡¿Ó¦Öú»ØÌû

¡ï ¡ï
gmy1990(½ð±Ò+2): 2011-09-10 19:18:03
qingjing9(½ð±Ò+4): ллÀ²¡£Ö®Ç°Ò»Ö±ÔÚ¿´g03µÄ˵Ã÷Ê飬ûÓмû¹ýg09.¶àл´óϺָµã 2011-09-11 20:39:44
¸ß˹09˵Ã÷Ê鹨ÓÚ"Density Functional Method"µÄ½âÊÍÖУ¬"Keywords for dft methods"ÕâÒ»½ÚÖеÄ"Hybrid Functionals"ÕâһС½ÚÄÚÈÝÖУ¬µÚÊ®¶þ×é¼´"M06"·ºº¯Ïµ£¬¶ÁÍêÄǾÍɶҲ²»ÓÃÎÊÁË
¼ºËù²»Óû£¬ÎðÊ©ÓÚÈË£»¼ºËùÓûÕߣ¬ÒàÎðÊ©ÈË¡£ÎÞÂÛÇî´ï£¬µ«Êر¾·Ö£»°Ë·ç²»¶¯£¬¶ÀÉÆ×ÔÉí¡£
2Â¥2011-09-10 15:01:08
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

fatpig8832

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

ÒýÓûØÌû:
1Â¥: Originally posted by qingjing9 at 2011-09-10 11:48:12:
Çë½Ì¸ßÊÖ£¬ÎÒÔÚʹÓÃgaussian09µÄm06-2xʱ±¨´í£¬ËµÊÇÓï·¨´íÎó¡£µ«ÊäÈëm062x¾Í¿ÉÒÔÕý³£¼ÆË㣬ÇëÎÊÕâÊÇÔõô»ØÊ°¡£¿ÕâÁ½¸öÒ»ÑùÂð£¿
²¹³ä£ºÎÒÓõÄÊÇgaussian09 µÄwindows°æ¡£Ð¡³æÊôÐÂÊÖÉÏ·£¬½ð±ÒÊýÄ¿ÓÐÏÞ£¬¸÷λ´óϺ ...

º¹...Òª²»È»ÄãÒÔΪm062xÊÇʲô...
4Â¥2011-09-12 12:54:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +17 ŬÁ¦·Ü¶·112 2026-04-06 20/1000 2026-04-11 00:31 by wangjihu
[¿¼ÑÐ] 297Çóµ÷¼Á +11 ORCHID1 2026-04-10 12/600 2026-04-10 21:07 by cyh¡ª315
[¿¼ÑÐ] ²ÄÁϹ¤³ÌÈÕÓÉúÇóµ÷¼Á +5 0856?µ÷¼Á 2026-04-10 5/250 2026-04-10 20:45 by yukihao
[¿¼ÑÐ] Çóµ÷¼Á +5 ²»»á·ÉµÄÓã@ 2026-04-10 5/250 2026-04-10 19:07 by chemisry
[¿¼ÑÐ] 336²ÄÁÏÓ뻯¹¤085600Çóµ÷¼Á +21 Ë®ÐǼÇinfp 2026-04-05 24/1200 2026-04-10 15:28 by luoyongfeng
[¿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] 293Çóµ÷¼Á +4 ÓÂÔ¶¿â°®314 2026-04-06 4/200 2026-04-10 11:00 by ¸ßά´º
[¿¼ÑÐ] ²ÄÁÏר˶283Çóµ÷¼Á +18 ÊÔÊÔ¿´ß 2026-04-04 19/950 2026-04-10 10:05 by may_ÐÂÓî
[¿¼ÑÐ] Çൺ¿Æ¼¼´óѧ²ÄÁÏѧԺ£¬»·¾³Ñ§Ôºµ÷¼Á²¹Â¼4ÔÂ10ÈÕÒÔǰ¶¼¿ÉÒÔ +3 1Çà¿Æ´ó¡£ 2026-04-09 5/250 2026-04-10 09:58 by ôæôæÒ»ÊéÉú
[¿¼ÑÐ] ²ÄÁÏÓ뻯¹¤371Çóµ÷¼Á +17 ÅãÁÕ¿´º£ 2026-04-04 18/900 2026-04-10 07:51 by 314126402
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +13 ÏàÐűػá¹ââÍòÕ 2026-04-06 16/800 2026-04-09 13:54 by ÐìÁ¼°×ü´óÏÀ
[¿¼ÑÐ] Çóµ÷¼Á +3 ÖíÈâ¶Õ·ÛÌõcc 2026-04-08 4/200 2026-04-09 10:05 by ÖíÈâ¶Õ·ÛÌõcc
[¿¼ÑÐ] ¶þ´Îµ÷¼ÁÇóÀÏʦÊÕÁô +3 ЦЦԬ 2026-04-08 3/150 2026-04-08 23:50 by ×íÔÚ·çÀï
[¿¼ÑÐ] 266µ÷¼Á +8 daya sun 2026-04-07 9/450 2026-04-08 20:27 by yutian743
[¿¼ÑÐ] 22408 266Çóµ÷¼Á +11 masss11222 2026-04-07 14/700 2026-04-08 11:06 by yulian1987
[¿¼ÑÐ] 283·ÖÇóµ÷¼Á +14 ÊÔÊÔ¿´ß 2026-04-04 14/700 2026-04-08 07:03 by lijunpoly
[¿¼ÑÐ] ũѧ£¬Çóµ÷¼Á£¬314·Ö +4 ·Ã¿Í¼Ç¼¿É°® 2026-04-04 4/200 2026-04-07 21:07 by µÈ°¶
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 mcbbc 2026-04-04 3/150 2026-04-05 10:03 by barlinike
[¿¼ÑÐ] ²ÄÁÏ383Çóµ÷¼Á +5 ¹ùÑôÑôÑô³É 2026-04-04 5/250 2026-04-04 19:06 by dongzh2009
[¿¼ÑÐ] 22408Çóµ÷¼Á 354·Ö ¿É¿çרҵ +3 hannnnnnn 2026-04-04 3/150 2026-04-04 14:35 by ÍÁľ˶ʿÕÐÉú
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û