°æ¿éµ¼º½
ÕýÔÚ¼ÓÔØÖÐ...
¿Í»§¶ËAPPÏÂÔØ
ÂÛÎĸ¨µ¼
É격¸¨µ¼
怬
×¢²á
Ìû×Ó
Ìû×Ó
Óû§
±¾°æ
24СʱÈÈÃŰæ¿éÅÅÐаñ
>
³æÓÑ»¥Ê¶
(355)
>
ÎÄÏ×ÇóÖú
(205)
>
˶²©¼ÒÔ°
(159)
>
µ¼Ê¦ÕÐÉú
(138)
>
ÂÛÎÄͶ¸å
(90)
>
ÐÝÏйàË®
(76)
>
²©ºóÖ®¼Ò
(75)
>
ÕÐÆ¸ÐÅÏ¢²¼¸æÀ¸
(72)
>
¿¼²©
(59)
>
»ù½ðÉêÇë
(54)
>
½Ìʦ֮¼Ò
(50)
>
½ðÈÚͶ×Ê
(43)
>
ÕÒ¹¤×÷
(33)
>
¿¼ÑÐ
(31)
>
ÂÛÎĵÀºØÆí¸£
(26)
>
¹«Åɳö¹ú
(25)
ÉêÇëµ±°æÖ÷
|
´æµµÇø
|
Ó¦ÖúÅÅÐÐ
|
QCÇ¿ÌûÅÅÐÐ
Сľ³æÂÛ̳-ѧÊõ¿ÆÑл¥¶¯Æ½Ì¨
»
¼ÆËãÄ£ÄâÇø
»
Á¿×Ó»¯Ñ§
»
¸öÈËÎļ¯
¶©ÔÄ
¹ÜÀíÍŶÓ
(½ð±Ò¿â
106944
³äÖµ
)
Ö÷¹ÜÇø³¤£º
ÔÂÖ»À¶
Сºì¶¹
Ö÷¹Ü°æÖ÷£º
zhou2009
paramecium86
10%
×î¸ß³öÇÚÂÊ
½Ü³ö¹±Ï×Õß
ר¼Ò¹ËÎÊ£º
beefly
jiewei
ggdh
¿¨¿ª·¢·¢
dxcharlary
jpchou
ÈÙÓþ°æÖ÷£º
lei0736
zzgyb
wuli8
aylayl08
nono2009
fegg7502
zzy870720z
uuv2010
csfn
Óù½£½ºþ
yjcmwgk
gmy1990
ben_ladeng
cenwanglai
ljw4010
ÈÙÓþ³ÉÔ±£º
erylingjet
heyo_123
gkf¸ß
125
2/2
ÉÏÒ»Ò³
1
2
È«²¿
ÎÄÕ¹ÊÊÂ
¸öÈËÎļ¯
Gaussian
Á¿»¯Í¼ÐοÉÊÓ»¯Èí¼þ
NBO/AIM
ADF/Dalton
Molpro/Molcas
Gamess/Q-Chem
HyperChem/NWChem
ChemOffice
Multiwfn
Turbomole/ORCA
SAPT/AOMix/Swizard
Semi-empirical
Á¿»¯ÐÂÊÖֱͨ³µ
LinuxÓ¦ÓÃ
ÆäËû
°æÎñ
»ØÌûÅÅÐò
·¢±íÅÅÐò
Ë¢ÐÂÒ³Ãæ
|
½»Á÷
|
ÇóÖú
|
×ÊÔ´
¾«»ªÇø
×÷Õß
×îºó·¢±í
[
Èȵã
]
2025 - Directed C©\H Bond Functionalization
asymmsyn
2026-01-21
¸Õ¸Õ
[
¸öÈËÎļ¯
]
[ר¼Ò]
¡¾beefly¸öÈËÎ¿¸÷ÖÖÈ«µç×ÓÏà¶ÔÂÛ·½·¨µÄ¼ÆËã½á¹û±È½Ï
(ÆÀÔÄ+5)
(QCÇ¿Ìû+1)
(4/865)
beefly
2011-02-03
2013-04-06 18:38:37
by
w68928865616
[
¸öÈËÎļ¯
]
¡¾sobereva¸öÈËÎ¿×ÔдLinkÉú³ÉGaussianµÄIRCÈÎÎñÖÐÿ¸öµãµÄ²¨º¯ÊýÎļþ
(10/3496)
sobereva
2011-04-25
2013-03-26 05:31:59
by
ysh
[
¸öÈËÎļ¯
]
²¨Á£¶þÏàÐÔ~²»ÕýÏñÊǺþÃæÉϵÄÔ¹âÂð£¿
(4/593)
leejones
2013-03-08
2013-03-08 17:03:11
by
275560060
[
¸öÈËÎļ¯
]
ÎÒ¶ÔÓÚÁ¿×Ó»¯Ñ§Óë΢¹ÛÁ£×Ó²¨¶¯ÐԵĸöÈËÀí½â¡£¡£ÍûÓÐÈËÖ¸µã
(ÆÀÔÄ+5)
(7/1506)
ÎÒ°®Å·×Ó
2012-12-09
2012-12-16 17:57:10
by
winsaint
[
¸öÈËÎļ¯
]
ͨÏòÄý¾Û̬ÎïÀíºÍÁ¿×Ó»¯Ñ§µÄÖÕ¼«Ö®Â·--ÃܶȾØÕóÖØÕû»¯Èº£¬´Ó¾ØÕó³Ë»ý̬µ½ÕÅÁ¿ÍøÌ¬
(19/4539)
chrinide
2011-05-06
2012-10-31 19:03:38
by
mljphy
[
¸öÈËÎļ¯
]
¡¾Ëï?ª730¸öÈËÎ¿¹îÒìµÄ»¯ºÏ¼Û
(ÆÀÔÄ+8)
(QCÇ¿Ìû+1)
(4/1976)
Ëï?ª730
2012-07-12
2012-07-16 19:30:13
by
Ëï?ª730
[
¸öÈËÎļ¯
]
batch_g03Éý¼¶batch_auto_g03 À²£¡
(7/1259)
10010602004
2012-06-30
2012-07-10 16:59:34
by
xp2012808
[
¸öÈËÎļ¯
]
¡¾il701¸öÈËÎ¿²ËÄñÏÖѧÏÖÂô£ºGView×÷ͼ
(
1
2
)
(ÆÀÔÄ+10)
(QCÇ¿Ìû+1)
(18/2883)
il701
2010-06-04
2012-07-03 17:06:31
by
°²µÂ
[
¸öÈËÎļ¯
]
¡¾gmy¸öÈËÎ¿×Ô¼ºÕâ¶Îʱ¼äÓÃGaussSum¾Ñé×ܽá
(21/4263)
gmy1990
2011-04-27
2012-06-12 18:42:57
by
chuanan027
[
¸öÈËÎļ¯
]
¡¾coolrainbow¸öÈËÎ¿¸Õ¸Õ±àÒë¸öNWChem£¬·¢¸ö¾Ñé°É
(11/2467)
coolrainbow
2010-06-02
2012-05-28 11:49:58
by
jove1782
[
¸öÈËÎļ¯
]
Äî¾ÉÓëFortran
(ÆÀÔÄ+5)
(QCÇ¿Ìû+1)
(7/2623)
yyqiao
2011-05-10
2012-03-14 09:09:25
by
ÅÝÅݹ¾¹¾Áú
[
¸öÈËÎļ¯
]
¼¯ÈºÖм¸¸ö³£ÓõÄÃüÁ¸úÓû§ÅàѵʱÓõÄÎĵµ£©
(ÆÀÔÄ+20)
(3/1697)
sureserver
2011-12-31
2012-01-01 11:41:30
by
sureserver
[
¸öÈËÎļ¯
]
¸Ð¿®
(3/526)
Óãåú
2011-12-07
2011-12-07 10:52:55
by
xw2008
[
¸öÈËÎļ¯
]
¡¾Ð¡×ä¸öÈËÎ¿´«ËµÖеÄDFT-D3µÄÀíÂÛ¿ò¼Ü
(
1
2
)
(ÆÀÔÄ+5)
(QCÇ¿Ìû+1)
(12/2433)
Óãåú
2011-06-27
2011-07-16 23:24:17
by
chuanan027
[
¸öÈËÎļ¯
]
¡¾pwzhou¸öÈËÎ¿Molpro 2010.1 PL20 ²¢ÐбàÒë
(5/3145)
pwzhou
2011-05-06
2011-07-13 17:11:05
by
arthur45415
[
¸öÈËÎļ¯
]
¡¾gchcaj¸öÈËÎ¿Ç³Ì¸Orca¼ÆËãBSSEУÕý
(5/2393)
ghcacj
2011-05-06
2011-05-09 10:56:50
by
green1986
[
¸öÈËÎļ¯
]
¡¾Ð¡×ä¸öÈËÎ¿ÔÚÁ¿×Ó»¯Ñ§ÓëµÚÒ»ÐÔÔÀíÁìÓò£¬ËùνţÈ˾ÍÊÇ×ö¼òµ¥¹¤×÷µÄÈË
(
1
2
3
)
(ÆÀÔÄ+5)
(25/4263)
yjcmwgk
2011-03-14
2011-05-03 19:05:46
by
ΰÃ÷
[
¸öÈËÎļ¯
]
¡¾coolrainbow¸öÈËÎ¿´«ËµÖеķÖ×ÓÄÚµÄÈ«²¿Ï໥×÷ÓÃ
(ÆÀÔÄ+5)
(QCÇ¿Ìû+1)
(9/1299)
coolrainbow
2011-01-15
2011-04-26 15:11:06
by
chrinide
[
¸öÈËÎļ¯
]
¡¾zhou2009¸öÈËÎ¿¹ØÓÚ¦¤¦Ñ¼ÆËãµÄһЩעÒâµã
(5/1282)
zhou2009
2010-12-23
2011-04-26 15:10:08
by
375642546
[
¸öÈËÎļ¯
]
¡¾zhou2009¸öÈËÎ¿¹ØÓÚµçºÉ¼ÆËãµÄµÚ¶þ×é·Ö×Ó
(4/2165)
zhou2009
2010-07-17
2011-04-19 15:52:29
by
sizj
[
¸öÈËÎļ¯
]
¡¾zhou2009¸öÈËÎ¿·Ö×ÓÆ¬¦Ñ¼ÆËãµÄÒ»¸öÖµµÃ×¢ÒâµÄÎÊÌâ
(ÆÀÔÄ+10)
(QCÇ¿Ìû+1)
(2/1019)
zhou2009
2011-03-08
2011-04-09 11:05:07
by
boylc789
[
¸öÈËÎļ¯
]
¡¾coolrainbow¸öÈËÎ¿Ð¡·Ö×ÓʵÑé½á¹¹ÓëÀíÂÛ¼ÆËãµÄ¶ÔÓ¦¹ØÏµ
(ÆÀÔÄ+10)
(QCÇ¿Ìû+1)
(5/1952)
coolrainbow
2011-03-21
2011-04-01 14:59:33
by
yasistar
[
¸öÈËÎļ¯
]
[ר¼Ò]
¡¾beefly¸öÈËÎ¿ÓÃGaussian¼ÆËã³¬ÖØÔªËØ
(ÆÀÔÄ+10)
(QCÇ¿Ìû+1)
(7/1696)
beefly
2011-01-08
2011-01-09 23:04:25
by
sculhf
[
¸öÈËÎļ¯
]
[ר¼Ò]
¡¾beefly¸öÈËÎ¿Error: Inaccurate quadrature in CalDSuµÄ½â¾ö·½·¨
(2/1471)
beefly
2010-12-12
2010-12-12 16:43:26
by
fatpig8832
[
¸öÈËÎļ¯
]
[ר¼Ò]
¡¾ggdh¸öÈËÎ¿¡¾benchmark¡¿ ORCA2.8 vs gaussian09 ¡ª¡ªopt
(ÆÀÔÄ+22)
(QCÇ¿Ìû+1)
(9/2715)
ggdh
2010-09-26
2010-09-29 15:34:23
by
ghcacj
125
2/2
ÉÏÒ»Ò³
1
2
Ïà¹Ø°æ¿éÌø×ª
µÚÒ»ÐÔÔÀí
Á¿×Ó»¯Ñ§
¼ÆËãÄ£Äâ
·Ö×ÓÄ£Äâ
·ÂտģÄâ
³ÌÐòÓïÑÔ
²é¿´
×îºó·¢±í
·¢Ìùʱ¼ä
°´½µÐòÅÅÁÐ
°´ÉýÐòÅÅÁÐ