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16:34, 3 December 2015
SH Running Integral for Gas (1 million atoms).PNG
(
file
)
13 KB
1
16:32, 3 December 2015
SH Running Integral for Gas.PNG
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file
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11 KB
1
16:30, 3 December 2015
SH Running Integral for Liquid (1 million atoms).PNG
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file
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12 KB
1
16:26, 3 December 2015
SH Running Integral for Liquid.PNG
(
file
)
11 KB
1
16:25, 3 December 2015
SH Running Integral for Solid (1 million atoms).PNG
(
file
)
16 KB
1
16:23, 3 December 2015
SH Running Integral for Solid.PNG
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file
)
12 KB
1
15:30, 3 December 2015
SH C(t) and VACF against Timesteps.PNG
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file
)
29 KB
1
21:36, 2 December 2015
SH Mean Squared Displacement against Time for Gas.PNG
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file
)
20 KB
1
21:22, 2 December 2015
SH Mean Squared Displacement against Time for Liquid.PNG
(
file
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17 KB
1
21:07, 2 December 2015
SH Mean Squared Displacement against Time for Solid.PNG
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file
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19 KB
2
18:59, 2 December 2015
SH Solid fcc.PNG
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file
)
9 KB
1
17:12, 2 December 2015
SH G(r) integral against distance.PNG
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file
)
17 KB
1
17:11, 2 December 2015
SH G(r) against distance.PNG
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file
)
26 KB
1
14:01, 2 December 2015
SH CvV against T at different densities.PNG
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file
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17 KB
1
11:55, 2 December 2015
SH Density Against Temperature at different P.PNG
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file
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31 KB
1
17:52, 26 November 2015
SH All energy against Time.PNG
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file
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48 KB
1
17:51, 26 November 2015
All energy against Time.PNG
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file
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48 KB
1
17:49, 26 November 2015
SH Pressure against Time.PNG
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file
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21 KB
1
17:38, 26 November 2015
SH Temp against Time.PNG
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file
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16 KB
1
17:33, 26 November 2015
SH Energy against Time.PNG
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file
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20 KB
2
00:36, 25 November 2015
SH Maxima Error Against Time.PNG
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file
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18 KB
1
00:26, 25 November 2015
SH Error against Time.PNG
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file
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20 KB
1
00:06, 25 November 2015
SH Analytical position against time.PNG
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file
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22 KB
1
10:42, 23 October 2015
TS-ENDO-BERNY-631G 2 IRC.LOG
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file
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261 KB
1
10:41, 23 October 2015
Qst2 opt am1 irc100 foward only.log
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file
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502 KB
1
10:38, 23 October 2015
GUESSED TS FREEZE DERIVATIVE3 IRC100.LOG
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file
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540 KB
1
10:36, 23 October 2015
QST2 OPT 631g berny.log
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file
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364 KB
1
10:35, 23 October 2015
TS-ENDO-BERNY-631G 2.LOG
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file
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385 KB
1
10:33, 23 October 2015
QST2 OPT AM1.LOG
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file
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2.26 MB
1
10:29, 23 October 2015
GUESSED TS FREEZE DERIVATIVE3.LOG
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file
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1.33 MB
1
10:26, 23 October 2015
Shuang cisbutadiene IRC 200.LOG
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file
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666 KB
1
10:23, 23 October 2015
Shuang Ts berny 631G.log
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file
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225 KB
1
10:20, 23 October 2015
Shuang GUESSED TS2 FREEZE DERIVATIVE IRC100.LOG
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file
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647 KB
1
10:16, 23 October 2015
Shuang Guessed TS2 Freeze Derivative.LOG
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file
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260 KB
1
09:48, 23 October 2015
Shuang CHAIR TS GUESS B IRC 50.LOG
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file
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464 KB
1
09:46, 23 October 2015
ShuangheREACT ANTI2 QST2 OPT+FREQ E PART2.LOG
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file
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601 KB
1
09:44, 23 October 2015
Shuanghe REACT ANTI2 QST2 OPT+FREQ E.LOG
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file
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197 KB
1
09:43, 23 October 2015
Shuanghe CHAIR TS GUESS D.LOG
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file
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431 KB
1
09:40, 23 October 2015
Shuang CHAIR TS GUESS C.LOG
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file
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99 KB
1
09:40, 23 October 2015
Shuang CHAIR TS GUESS B.LOG
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file
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386 KB
1
09:38, 23 October 2015
Shuang REACT ANTI CIS REOPT FREQ.LOG
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file
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78 KB
1
09:38, 23 October 2015
Shuang REACT ANTI CI REOPT.LOG
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137 KB
1
09:37, 23 October 2015
Shuang REACT ANTI CI.LOG
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file
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151 KB
1
09:36, 23 October 2015
Shuang REACT GAUCHE.LOG
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file
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246 KB
1
09:35, 23 October 2015
Shuang REACT ANTI.LOG
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file
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169 KB
1
04:25, 23 October 2015
Shuang DA2 mechanism exo endo.png
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file
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9 KB
2
02:35, 23 October 2015
Shuang-DA-cisbutadiene and ethene mechanism.png
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file
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4 KB
1
21:40, 22 October 2015
Shuang IRC 100 exo am1.PNG
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file
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14 KB
1
21:35, 22 October 2015
Shuang IRC 100 endo 631G.PNG
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file
)
13 KB
1
21:31, 22 October 2015
Shuang IRC 100 endo am1.PNG
(
file
)
15 KB
1
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.PNG)
.PNG)
.PNG)
_and_VACF_against_Timesteps.PNG)
_integral_against_distance.PNG)
_against_distance.PNG)
