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Uploads by Phw417

This special page shows all uploaded files.

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Date Name Thumbnail Size Description Versions
14:01, 22 May 2019 Phw417 contour plot of HF+H(optimal).png (file) 154 KB   1
13:43, 22 May 2019 Phw417 contour plot of HF+H(increased momenta).png (file) 128 KB   1
13:36, 22 May 2019 Phw417 contour plot of HF+H.png (file) 128 KB   1
13:11, 22 May 2019 Phw417 TS of F+H2.png (file) 66 KB   1
12:52, 22 May 2019 Phw417 contour plot of F+H2(reduced energy).png (file) 138 KB   1
16:48, 21 May 2019 Phw417 contour plot of F+H2.png (file) 119 KB   3
16:46, 21 May 2019 Phw417 momentum plot of F+H2.png (file) 34 KB   2
16:46, 21 May 2019 Phw417 energy plot of F+H2.png (file) 32 KB   2
16:05, 21 May 2019 Phw417 HF(distance).png (file) 15 KB   1
15:38, 21 May 2019 Phw417 HF surface plot.png (file) 154 KB   1
14:30, 21 May 2019 Phw417 Reactive and unreactive trajectories(5).png (file) 130 KB   1
14:30, 21 May 2019 Phw417 Reactive and unreactive trajectories(4).png (file) 130 KB   1
14:29, 21 May 2019 Phw417 Reactive and unreactive trajectories(3).png (file) 123 KB   1
14:29, 21 May 2019 Phw417 Reactive and unreactive trajectories(2).png (file) 123 KB   1
14:29, 21 May 2019 Phw417 Reactive and unreactive trajectories(1).png (file) 123 KB   1
13:57, 21 May 2019 Phw417 rts+δ(mep,reversed,contour) Surface Plot.png (file) 121 KB   1
13:56, 21 May 2019 Phw417 rts+δ(mep,reversed,distance) Surface Plot.png (file) 28 KB   1
13:55, 21 May 2019 Phw417 rts+δ(mep,reversed) Surface Plot.png (file) 120 KB   2
13:10, 21 May 2019 Phw417 rts+δ(mep) Surface Plot.png (file) 120 KB   1
13:09, 21 May 2019 Phw417 rts+δ(dynamics) Surface Plot.png (file) 121 KB   1
12:52, 21 May 2019 Phw417 r1=r2 Surface Plot.png (file) 11 KB   2
15:31, 10 May 2019 MO 40 annotated.png (file) 133 KB   2
15:26, 10 May 2019 MO 43 annotated.png (file) 174 KB   1
15:26, 10 May 2019 MO 41 annotated.png (file) 152 KB   1
15:19, 10 May 2019 Lowest Energy Conformer Annotation.png (file) 460 KB   1
18:03, 9 May 2019 Angus Al opt freq.gjf.log (file) 35 KB   1
17:39, 9 May 2019 Angus cis opt freq.gjf (file) 859 bytes   1
17:38, 9 May 2019 Angus trans opt freq.gjf (file) 802 bytes   1
17:31, 9 May 2019 Angus AlCl2Br.png (file) 11 KB   2
17:30, 9 May 2019 Al2ClBr2.png (file) 45 KB Reverted to version as of 14:09, 9 May 2019 3
17:24, 9 May 2019 Angus bridgingBr Summarytable.png (file) 12 KB   2
17:02, 9 May 2019 Angus transBr Summarytable.png (file) 42 KB   4
16:53, 9 May 2019 Angus bridgeBr Summarytable.png (file) 12 KB   4
16:19, 9 May 2019 Angus NI3 Summarytable.png (file) 167 KB   2
16:16, 9 May 2019 ANGUS NI3 FREQ.LOG.log (file) 39 KB   2
15:14, 9 May 2019 ALCL2BR OPT.LOG (file) 70 KB   1
15:11, 9 May 2019 AlCl2Br opt.gjf (file) 419 bytes   1
14:38, 9 May 2019 ANGUS TRANSAL2BR2CL4 FREQ.LOG (file) 1.04 MB   1
14:29, 9 May 2019 Angus AL2CL4BR2 FREQ.LOG (file) 1.04 MB   1
12:21, 8 May 2019 ANGUS NH3BH3 FREQ.LOG (file) 152 KB   1
12:19, 8 May 2019 Angus NH3BH3 Summarytable.png (file) 174 KB   1
12:19, 8 May 2019 ANGUS NH3 FREQ.LOG (file) 73 KB   2
12:11, 8 May 2019 Angus NH3 Summarytable.png (file) 195 KB   1
16:09, 7 May 2019 Angus Summarytable.png (file) 41 KB   2
15:49, 7 May 2019 Angus BH3 MO Diagram.png (file) 184 KB   2
14:00, 7 May 2019 Angus BH3 IRspectrum.PNG (file) 27 KB   2
13:48, 7 May 2019 ANGUS BH3 freq.gjf (file) 440 bytes   1
13:45, 7 May 2019 ANGUS BH3 FREQ.LOG (file) 73 KB   2
10:46, 1 March 2018 Angus MO10.png (file) 47 KB   1
10:46, 1 March 2018 Angus MO9.png (file) 39 KB   1
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