°æ¿éµ¼º½
ÕýÔÚ¼ÓÔØÖÐ...
¿Í»§¶ËAPPÏÂÔØ
¸´ÊÔµ÷¼Á¸¨µ¼
怬
×¢²á
Ìû×Ó
Ìû×Ó
Óû§
±¾°æ
24СʱÈÈÃÅ°æ¿éÅÅÐаñ
ʯϪ´óѧ½ÓÊÜ¿¼Ñе÷¼ÁÉêÇë>
>
³æÓÑ»¥Ê¶
(622)
>
˶²©¼ÒÔ°
(448)
>
ÎÄÏ×ÇóÖú
(435)
>
µ¼Ê¦ÕÐÉú
(410)
>
¿¼²©
(284)
>
ÕÐƸÐÅÏ¢²¼¸æÀ¸
(272)
>
ÐÝÏйàË®
(239)
>
¿¼ÑÐ
(233)
>
ÂÛÎÄͶ¸å
(172)
>
²©ºóÖ®¼Ò
(101)
>
½Ìʦ֮¼Ò
(84)
>
»ù½ðÉêÇë
(77)
>
º£Íⲩºó
(63)
>
Óлú½»Á÷
(63)
>
µç»¯Ñ§
(55)
>
¸ß·Ö×Ó
(53)
ÉêÇëµ±°æÖ÷
|
´æµµÇø
|
Ó¦ÖúÅÅÐÐ
|
QCÇ¿ÌûÅÅÐÐ
Сľ³æÂÛ̳-ѧÊõ¿ÆÑл¥¶¯Æ½Ì¨
»
¼ÆËãÄ£ÄâÇø
»
Á¿×Ó»¯Ñ§
¶©ÔÄ
¡¾µ÷¼Á¡¿±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2024Äê16¸öרҵ½ÓÊܵ÷¼Á
¹ÜÀíÍŶÓ
(½ð±Ò¿â
106747
³äÖµ
)
Ö÷¹ÜÇø³¤£º
ÔÂÖ»À¶
Сºì¶¹
Ö÷¹Ü°æÖ÷£º
zhou2009
paramecium86
20%
×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
6942
4/70
Ê×Ò³
ÉÏÒ»Ò³
2
3
4
5
6
7
ÏÂÒ»Ò³
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
]
¹ú¼ÒÖصãÑз¢¼Æ»®ÂÛÎÄ¿ÉÒÔ·¢MDPIÀïµÄÆÚ¿¯Âð
lin_2018
2024-04-19
¸Õ¸Õ
[
Gaussian
]
Çógussian viewÈí¼þwindows
(35/374)
Jaggie.HNU
2020-04-08
2020-04-08 19:20:39
by
xzw885130
[
Gaussian
]
¡¾ÇóÖú¡¿Defaulting to unpruned grid for atomic number 79
(7/4771)
296011136
2010-11-09
2020-04-08 13:48:37
by
½ÚÄܵÆÏ£Íû
[
Á¿»¯ÐÂÊÖ
]
ms´ò²»¿ªcifÎļþ£¬Â·¾¶ÎÞÖÐÎÄ
(2/578)
20111891
2019-12-20
2020-04-08 07:54:31
by
wuliqin
[
ÆäËû
]
ԾǨż¼«¾Ø¶¨Ò壬¹âÓëÎïÖÊÇ¿Ï໥×÷ÓÃ
4
(3/2039)
yh_lou
2020-03-29
2020-04-07 17:25:06
by
Ò×Ë®µ¶¿Í
[
Gaussian
]
¸ß˹¼ÆËãÉú³ÉìÊ
(3/1242)
bit2018
2020-04-05
2020-04-06 21:28:26
by
bit2018
[
LinuxÓ¦
]
Çì×£Î人ËĺÅÏß¿ªÍ¨
(
1
2
)
(54/1072)
Nilman
2020-03-29
2020-04-03 11:01:16
by
Cheerfulxx
[
Gaussian
]
BSSE¼ÆËãʱ£¬¸´ºÏ½á¹¹Ä£Ð͵ĴÎÊÌâ
(22/472)
cui751x
2019-12-06
2020-03-31 07:29:26
by
978137639
[
Á¿»¯ÐÂÊÖ
]
¾Û±½°·µÄÈÈÁ¦Ñ§¼ÆËã
3
(3/585)
hywjj
2020-03-23
2020-03-29 20:07:51
by
mikeshen101
[
Gaussian
]
gaussian09ÏÔʾ2070´íÎó
(2/735)
obsession¡£
2020-03-28
2020-03-28 22:32:19
by
ÌìÌì½ø²½°¡
[
Gaussian
]
Ó«¹âÊÙÃüºÍ·øÉäԾǨÓë·Ç·øÉäԾǨµÄ¹Øϵ
(7/7673)
leongfeng
2013-04-28
2020-03-26 07:47:56
by
¿¨ÆÕÄÇÅ«
[
Gaussian
]
Guassain°æȨ
(3/455)
º®¶³Ë®³É±ù
2020-03-18
2020-03-18 20:12:32
by
b3478518
[
Á¿»¯ÐÂÊÖ
]
·Ö×ÓÉè¼Æ
4
(6/532)
·ÇÃηÇʵ
2019-04-08
2020-03-15 23:25:41
by
ÎÞÓûÎÞÄî
[
Gaussian
]
N2O·Ö×ӽṹ
(2/473)
woshitai
2020-03-04
2020-03-04 20:24:25
by
woshitai
[
Gaussian
]
COS+M=CO+S+MµÈÈȽⷴӦÖеÄMËù´ú±íµÄº¬Òå
(23/1015)
Á÷ÀËèСç÷
2020-02-19
2020-02-23 16:35:21
by
Á÷ÀËèСç÷
[
Á¿»¯ÐÂÊÖ
]
¡¾ÇóÖú¡¿ÎüÊÕ¹âÆ׺ÍÄܼ¶
(4/741)
zzl7337
2010-05-14
2020-02-22 07:58:39
by
peptide2882
[
Á¿»¯ÐÂÊÖ
]
Á¿×Ó»¯Ñ§ÇóÖú
5
(0/261)
hhhhhz¡
2020-02-19
2020-02-19 19:18:07
by
hhhhhz¡
[
Gaussian
]
Çë½ÌÔÓ»¯¹ìµÀÄÜ·ñ¼ÆËã
(10/1228)
tianmafei
2020-02-14
2020-02-16 18:20:45
by
tianmafei
[
Gaussian
]
¡¾ÇóÖú¡¿ÈçºÎÀûÓøß˹¼ÆËãµç×ÓÔÆÃܶÈ
15
(7/7024)
conan3020
2011-03-28
2020-02-11 11:16:04
by
olµãµãyo
[
Á¿»¯ÐÂÊÖ
]
¹ØÓÚÈýÖØ̬Óëµ¥ÖØ̬µÄԾǨÎÊÌâ
38
(45/2989)
Á÷ÀËèСç÷
2019-11-07
2020-02-07 20:10:42
by
Á÷ÀËèСç÷
[
Gaussian
]
¡¾ÇóÖú¡¿CBS-QB3µ¥µãÄܼÆËã
17
(18/2863)
313588908
2011-02-26
2020-02-04 22:13:40
by
mgfudan
[
Gaussian
]
IRCÖ»ËãÁËÒ»²½¾Í½áÊøÁË
6
(5/1093)
1015780238
2019-10-22
2020-01-29 22:40:36
by
1464969820
[
ÆäËû
]
¾øÈÈ·Ö×Ó¶¯Á¦Ñ§Ä£Ä⣨Non-adiabatic molecular dynamics simulation£©
(2/1398)
zqzq71
2015-07-03
2020-01-16 18:43:12
by
sunrider
[
Gaussian
]
contour levels for these orbitals should be provided.
(2/359)
·Ö¿ªÂÃÐÐ
2020-01-09
2020-01-10 20:50:04
by
·Ö¿ªÂÃÐÐ
[
Gaussian
]
ÈçºÎ»Ø´ðÉó¸åÈËÕâ¸öÎÊÌ⣿
(2/687)
xiaogang0611
2020-01-07
2020-01-07 16:21:25
by
xiaogang0611
[
Gaussian
]
¹ØÓÚ¹ý¶É̬ÊÆÀݸߵ͵ÄÒÉÎÊ
(1/631)
ÕÔhff
2020-01-04
2020-01-06 10:35:27
by
paramecium86
[
ÆäËû
]
±íÃæÄܵļÆËã
(7/441)
ÄÈÄÈ-
2020-01-05
2020-01-05 13:59:43
by
ÄÈÄÈ-
[
ÆäËû
]
ͶƱ:
¹ú¼Ò×ÔÈ»»ù½ðÉêÇëÓëÅú×¼Çé¿ö
(
1
2
3
4
5
)
(211/2838)
º¬ÄܲÄÁÏ
2018-08-16
2020-01-03 23:02:51
by
liuyusuc
[
Á¿»¯ÐÂÊÖ
]
Ðì¹âÏܵÄÁ¿×Ó»¯Ñ§
(
1
2
3
4
)
(ÆÀÔÄ+3)
(32/6013)
ÕÅ100730227
2013-12-28
2020-01-02 13:53:12
by
jgxingfu
[
Gaussian
]
µÚʮһ½ì¿ÆÒôÁ¿»¯³õ¼¶°à±¨Ãû
(7/351)
°µéäÖ®Ò¹
2019-12-27
2019-12-27 08:54:24
by
15645016370
[
ÆäËû
]
ÇóÖúÒ»±¾ÓйطÇÏßÐÔ¹âѧµÄÊé
(0/416)
13114635706
2019-12-26
2019-12-26 19:14:10
by
13114635706
[
Gaussian
]
¡¾ÇóÖú¡¿¹ØÓÚb97-d·ºº¯µÄTD
(3/1121)
domilar
2010-07-11
2019-12-23 07:11:15
by
mikufan
[
ADF/Dal
]
WindowsÏ°²×°ADF³ö´í£¬Çó´óÉñÖ¸µã£¡
(
1
2
)
(66/1223)
huangyahui
2019-03-02
2019-12-19 09:20:08
by
ÄîǦ210
[
Á¿»¯ÐÂÊÖ
]
¡¾ÇóÖú¡¿¹ØÓÚLUMO£¬HOMOµ¥Î»Îªa.u.ºÍeVÖ®¼äµÄ»»Ëã
15
(4/4403)
bly-wj
2010-11-25
2019-12-16 16:40:04
by
Jessie46
[
ADF/Dal
]
ÍƼö ADF¼ÆË㻯ѧÈí¼þ¸ß¼¶Åàѵ°à£¨2016Äê³É¶¼Õ¾£©
(
1
2
3
4
5
6
)
-1
(281/6964)
nh13
2016-11-15
2019-12-15 15:38:46
by
nwpu_pwq
[
Gaussian
]
ÇóÖúÒ»¸ö¼ÆË㻯ѧµÄÀíÂÛÎÊÌâ
(3/712)
wuyong123
2019-12-13
2019-12-15 12:15:15
by
paramecium86
[
Gaussian
]
GaussianÓëÁ¿»¯¼ÆËã½»Á÷Ⱥ
(
1
2
)
914
(ÆÀÔÄ+100)
(62/2852)
º¬ÄܲÄÁÏ
2018-12-12
2019-12-13 21:03:50
by
hollya27
[
Gaussian
]
¸ß˹¼ÆËã´íÎóÇóÖú
(3/838)
СÌï851632
2019-12-09
2019-12-09 13:02:36
by
СÌï851632
[
Gaussian
]
ÇóÎÊÓлúС·Ö×Óż¼«¾ØÈçºÎ¼ÆËã
(5/761)
hcnankai
2019-12-06
2019-12-09 10:53:28
by
hcnankai
[
Á¿»¯ÐÂÊÖ
]
Óг¥ÇóÖúÁ¿×Ó»¯Ñ§¼¸µÀÌâÄ¿
(0/363)
StoneChan
2019-12-06
2019-12-06 17:26:48
by
StoneChan
[
¸öÈËÎļ¯
]
LSQC-2.4·¢²¼£¡
4
(6/553)
ˮԴµØ
2019-11-30
2019-12-06 11:37:02
by
sz_kebaoyuan
[
Á¿»¯ÐÂÊÖ
]
Ë®ÈÜҺģÐ͵Ľ¨Á¢
(7/494)
wulindzh
2019-12-05
2019-12-05 19:41:43
by
Amittai
[
Gaussian
]
Gaussian¼ÆËãµÄµçÄÔÅäÖùýÀ´¿´À²
(8/1592)
kellox
2019-11-01
2019-12-05 13:42:28
by
kellox
[
Gaussian
]
gaussianÄÚ´æ·ÖÅäÇóÖú
(2/497)
llliner1982
2019-12-04
2019-12-05 08:39:10
by
llliner1982
[
ÆäËû
]
ÇóÖúmaterials studio 2018
(18/1747)
AndyGreen
2019-08-01
2019-12-04 11:38:19
by
wolfmei
[
Á¿»¯Í¼ÐÎ
]
ͬÑùµÄ¼ÆËãµÃµ½µÄfchkÎļþÒ»¸ö¿ÉÒÔÉú³Étotal density µÄcube¶øÁíÒ»¸öÖ»ÄÜÉú³ÉMOµÄ
29
(2/1414)
ÏÄÌìµÄÍÞ
2012-06-05
2019-12-03 18:43:50
by
ÎÒÊÇÄãµÄ·ç¾°
[
Gaussian
]
Ä£ÄâÂÈ»¯ÄƺÍÁ×ËáÄÆ
(3/348)
xiyel
2019-12-03
2019-12-03 17:45:49
by
oyljw
[
Gaussian
]
DFT¼ÆËãÇóÖú
(8/653)
¹Ï×ÓÈÊ66
2019-11-21
2019-12-03 13:46:03
by
z3115623
[
Gamess/
]
¡¾ÇóÖú¡¿gamess °²×°ºó£¬×ö²âÊÔµÄʱºò³öÏÖDDI Process 0: error code 911ÎÊÌâ¡£
9
(9/2971)
xuefangyu09
2010-09-10
2019-12-03 11:16:21
by
jinnengzhi
[
ÆäËû
]
ÏëÒª²éÕÒijһÎïÖʵijɷָÃÔõôÕÒ
10
(1/238)
li447fan
2019-11-29
2019-11-29 15:25:15
by
ahehyh
[
Gaussian
]
ÇóÒ»·ÝgaussianÈí¼þ
50
(0/458)
FZW99
2019-11-26
2019-11-26 11:17:10
by
FZW99
[
Gaussian
]
gaussview»³ö·Ö×Ó¹ìµÀ
(7/1497)
ÎÒÊÇСë¿3
2019-10-31
2019-11-25 20:16:37
by
ÎÒÊÇСë¿3
[
Gaussian
]
DFT¼ÆËãÇë½Ì
(8/479)
¹Ï×ÓÈÊ66
2019-11-24
2019-11-24 14:48:08
by
tzynew
[
Gaussian
]
HOMOºÍLUMOÄܼ¶Í¼
(9/876)
¹Ï×ÓÈÊ66
2019-11-22
2019-11-23 08:55:02
by
¹Ï×ÓÈÊ66
[
ÆäËû
]
½á¹¹»¯Ñ§
(0/329)
LENOVO??
2019-11-20
2019-11-20 11:42:04
by
LENOVO??
[
Gaussian
]
gauss ¼ÆËãµçż¼«¾Ø
3
(22/5138)
´º»ªÇïʵ2020
2013-09-13
2019-11-19 21:00:39
by
Íõ´ºÓê20
[
ÆäËû
]
Ͷ¸åÇóÖú
(0/304)
bit2018
2019-11-17
2019-11-17 13:04:33
by
bit2018
[
¸öÈËÎļ¯
]
¡¶Zhou2009Îļ¯2¡·*Ðò
(
1
2
)
(19/3088)
zhou2009
2016-05-30
2019-11-10 06:55:02
by
½ºþÔ¶
[
Gaussian
]
ÇóÖú¸ß˹Èí¼þ¼ÆËã·Ö×Ó¼äÏ໥×÷ÓÃ
(3/895)
С¹¢12138
2019-10-18
2019-11-07 18:58:13
by
hdpky
[
Gaussian
]
·Ö×ÓÄ£Äâ»ù´¡
(1/1612)
Zzq?
2018-12-05
2019-11-07 06:35:22
by
¶¬¶¬²»ßËßË
[
Multiwfn
]
·Ö×Ó¼äÇâ¼ü
(0/384)
NGC626
2019-11-04
2019-11-04 21:55:03
by
NGC626
[
Gaussian
]
Á¿×Ó»¯Ñ§/·Ö×ÓÁ¦Ñ§£¨qm/mm£©ºÍ·Ö×Ó¶¯Á¦Ñ§Ä£Ä⣨MD£©Ñо¿·½ÏòµÄ¿ÆÑÐÈËÔ±²ÎÓë¿ÎÌâÑо¿
(3/1640)
ɯÀ²¼À²À²
2019-06-21
2019-11-04 03:06:37
by
ßÉßóßÉßóo
[
Gaussian
]
¡¾ÇóÖú¡¿gaussian¼ÆËã´íÎóL301£¬Çë¸ßÊִͽÌ
(14/2337)
realmanster
2011-03-09
2019-11-03 07:03:52
by
mgfudan
[
Gaussian
]
Óøß˹09¼ÆËãÊÖ²áÖÐÒÒÈ©ÔÚÒÒ´¼ÈÜÒºÖеÄÓ«¹â¹âÆ×µÄÎÊÌâ
(
1
2
)
2
(12/3812)
´÷ÊÀ½Ü
2014-08-17
2019-11-01 08:31:18
by
È«ÃñʵÑé
[
Á¿»¯ÐÂÊÖ
]
gaussian¡¢Materials Studio¡¢vasp¡¢Molcas¡¢siesta
(ÆÀÔÄ-200)
(4/990)
hanzixuan
2019-10-25
2019-10-31 13:50:27
by
hanzixuan
[
ÆäËû
]
DFTB+Èí¼þ ÈçºÎÓÅ»¯È¾ÁÏ·Ö×Ó
(6/495)
2016216013
2018-04-13
2019-10-25 15:58:37
by
weichengdo
[
Gaussian
]
ͶƱ:
Á¿»¯Ë¶Ê¿±ÏҵȥÏòµ÷²é£¡
(
1
2
3
4
5
6
..
9
)
(80/11670)
tangbaowei
2011-09-17
2019-10-24 00:19:22
by
Ë«ÃæÈËÉúÔµ
[
Molpro/
]
¹ØÓÚ»îÐÔ¿Õ¼ä¹ìµÀµÄÑ¡Ôñ¼°µ÷»»·½Ê½
(1/1668)
lastzealot
2019-10-23
2019-10-23 00:49:28
by
lastzealot
[
Gaussian
]
´íÎóL1
(4/614)
ÀîÀî¹úÇì
2019-10-21
2019-10-22 20:01:30
by
ÀîÀî¹úÇì
[
Á¿»¯ÐÂÊÖ
]
Á¿»¯ÐÂÊÖ--Á¿»¯Êé¼®ÍƼö
79
(25/1818)
Yan_Jordan
2019-01-16
2019-10-22 18:05:18
by
WesleyBirdy
[
Á¿»¯ÐÂÊÖ
]
cosmo-sac
(0/588)
С¹¢12138
2019-10-21
2019-10-21 17:08:21
by
С¹¢12138
[
Á¿»¯Í¼ÐÎ
]
ÇëÎÊmolproµÄmoldenÎļþÓÃʲôÈí¼þ´ò¿ª
(2/700)
lastzealot
2019-10-14
2019-10-18 07:57:09
by
lastzealot
[
Gaussian
]
ÇëÎʸß˹ÈçºÎ¼ÆËã±ÈÐý¹â¶È£¿ÓÃʲô·½·¨£¿
(2/1741)
gca1983
2013-05-28
2019-10-17 10:31:40
by
zhangxuke
[
ÆäËû
]
ÇóÖú£¡£¡
(2/389)
llºº
2019-10-12
2019-10-14 10:30:09
by
llºº
[
Gaussian
]
chkÎļþת»¯³ö´í
(5/1167)
soulless03
2019-09-16
2019-10-12 21:23:13
by
wzy138
[
Gaussian
]
¡¾ÇóÖú¡¿ÈܼÁ»¯Ä£ÐÍÖлìºÏÈܼÁ¸ÃÔõôÉèÖã¿
3
(2/825)
lwg020810
2010-11-03
2019-10-12 19:00:03
by
18213818611
[
ÆäËû
]
һЩ·´Ó¦×é·ÖµÄÈÈ»¯Ñ§²ÎÊý¼ÆËã
(1/509)
�ֻ��ûï¿
2019-10-08
2019-10-09 00:34:36
by
paramecium86
[
Gaussian
]
¸ß˹viewµÄʹÓý̳Ì
(1/890)
youngmemory
2019-09-29
2019-10-08 17:50:54
by
dahai7719
[
Gamess/
]
gamessÊÖ²á·Òë
(0/566)
Æѹ«Ó¢»¨
2019-10-06
2019-10-06 15:22:26
by
Æѹ«Ó¢»¨
[
Á¿»¯ÐÂÊÖ
]
ʲôÊÇFLPs system
(1/275)
xiaomei-123
2019-09-30
2019-10-02 20:33:02
by
yalefield
[
Gaussian
]
gauss view¹¹½¨·Ö×Ó˵Ã÷²¿·Ö
81
(26/2975)
ѧÊõµÛ
2019-03-02
2019-10-01 00:57:19
by
wzy138
[
Gaussian
]
d3hÈýÖØ̬µÄµç×Ó̬
(8/221)
403227399
2019-09-26
2019-09-26 23:04:30
by
paramecium86
[
Gaussian
]
ͼƬÊä³ö
(0/293)
soulless03
2019-09-17
2019-09-17 10:56:17
by
soulless03
[
Á¿»¯ÐÂÊÖ
]
ÇóÖú
(10/286)
fanbingyu
2019-09-14
2019-09-14 11:08:40
by
lsc84
[
ÆäËû
]
¼ÆËã»ú¸¨ÖúµÄÒ©ÎïÉè¼Æ-²©Ê¿ºó
(1/515)
xiaomuc-1
2019-09-11
2019-09-11 15:44:17
by
maojiashun
[
ÆäËû
]
¡ª¡ª¡°ÐÂʱ´úµÄ¼ÆË㻯ѧÑо¿¡±Ö÷ÌâÂÛ̳Õ÷¸å֪ͨ
(2/372)
chafferersun
2019-09-10
2019-09-11 12:42:12
by
chafferersun
[
Á¿»¯ÐÂÊÖ
]
»ù´¡Á¿×Ó»¯Ñ§ÓëÓ¦ÓÃ
(
1
2
3
4
5
)
(ÆÀÔÄ+5)
(45/4060)
yaya213
2012-04-01
2019-09-11 07:04:06
by
lyamz219109
[
Multiwfn
]
AIM·ÖÎö
(1/891)
Çë¼Ä±ÊÄ«
2019-09-07
2019-09-10 00:32:04
by
oyljw
[
Gamess/
]
¡¾ÌÖÂÛ¡¿Q-ChemÔõôÑù°¡
(4/1002)
lxmn
2010-06-08
2019-09-09 13:30:33
by
lu589
[
Gaussian
]
²é¿´Ìض¨Î»ÖõçºÉÃܶÈ
(4/281)
°²È»Ô¥ÊÀ
2019-09-05
2019-09-05 17:32:46
by
ÔóÁÖ ÀäZ
[
Á¿»¯ÐÂÊÖ
]
¾«»ª
I
:
¡¾·ÖÏí¡¿mdbbs·¢²¼ÁËÈýÄêÓÅÖÊ×ÊÔ´»ã×ܵç×ÓÊé
(
1
2
3
4
5
)
(40/6564)
yjcmwgk
2010-03-16
2019-09-05 06:10:20
by
liujodan
[
Gaussian
]
AMax¹¤×÷Õ¾
(5/765)
cui751x
2019-08-19
2019-09-04 11:50:21
by
banjingT
[
ChemOff
]
¡¾ÇóÖú¡¿ÇëÎÊChem3DÔõô¼ÆËã·Ö×ÓÖ±¾¶¼°·Ö×ÓÌå»ý£¿
(8/9035)
pippo562
2010-03-28
2019-08-31 13:56:23
by
ÎÒÀ´Ò²°¡
[
Gaussian
]
ͶƱ:
¡¾»î¶¯¡¿¡¾Á¿×Ó»¯Ñ§¼ÆËãÌåϵ´óС¡¿
(
1
2
3
4
5
)
60
(211/2375)
º¬ÄܲÄÁÏ
2017-09-02
2019-08-30 22:22:07
by
yanbodr
[
Gaussian
]
·Ö×Ó±íÃæ¾²µçÊƼÆËã
(11/1382)
cui751x
2019-08-29
2019-08-29 03:17:27
by
fingerlake
[
Gaussian
]
Gaussianview´î½¨¸»ÀÕÏ©C61½á¹¹Ä£ÐÍ
(25/698)
cui751x
2019-08-25
2019-08-28 07:48:24
by
cui751x
[
Gaussian
]
ÇëÎÊÕâÊÇʲôÇé¿ö£¬µ¼³öµÄͼƬ±ä³ÉºÚ°×µÄÁË
(2/468)
¸ñÍßÀ183
2019-07-29
2019-08-22 14:00:24
by
¸ñÍßÀ183
[
LinuxÓ¦
]
#g09-traj.py# python script to extract optimization trajectory
(2/836)
cahndengbin
2019-08-13
2019-08-21 00:37:39
by
oyljw
6942
4/70
Ê×Ò³
ÉÏÒ»Ò³
2
3
4
5
6
7
ÏÂÒ»Ò³
Ïà¹Ø°æ¿éÌøת
µÚÒ»ÐÔÔÀí
Á¿×Ó»¯Ñ§
¼ÆËãÄ£Äâ
·Ö×ÓÄ£Äâ
·ÂÕæÄ£Äâ
³ÌÐòÓïÑÔ
²é¿´
×îºó·¢±í
·¢Ìùʱ¼ä
°´½µÐòÅÅÁÐ
°´ÉýÐòÅÅÁÐ