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Uploads by Ac4515

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Date Name Thumbnail Size Description Versions
21:05, 5 December 2017 Comp vs lit QH.png (file) 41 KB   1
19:47, 5 December 2017 QH temp vs vol correct.png (file) 33 KB   1
18:41, 5 December 2017 QH vol vs temp .png (file) 32 KB   1
18:33, 5 December 2017 Free energy vs temp QH.png (file) 34 KB   1
17:34, 5 December 2017 Quasiharmoniceq.png (file) 20 KB   1
16:17, 5 December 2017 Variation of freeE with grid size 300K.png (file) 24 KB   1
15:50, 5 December 2017 28x28x28 DOS.PNG (file) 13 KB   1
22:31, 4 December 2017 40x40x40 density of states.PNG (file) 11 KB   1
22:20, 4 December 2017 20x20x20 DOS.PNG (file) 12 KB   1
22:20, 4 December 2017 5x5x5 density of states.PNG (file) 18 KB   1
22:17, 4 December 2017 3x3x3 denisity of states.PNG (file) 17 KB   1
22:14, 4 December 2017 1x1x1 density of states.PNG (file) 17 KB   2
15:21, 4 December 2017 1x1x1 DOS correct.PNG (file) 13 KB   1
15:12, 4 December 2017 50 kpoint dispersion curve.PNG (file) 14 KB   1
16:56, 18 May 2017 F+H2. PotEvstime-correct-1.png (file) 12 KB   1
16:40, 18 May 2017 H2+F. PotEvstime-correct-1.png (file) 13 KB   1
15:53, 18 May 2017 Internucleardistances time -H2 +F.PNG (file) 18 KB   1
15:29, 18 May 2017 Exo surface plot H2+F.PNG (file) 100 KB   1
15:21, 18 May 2017 H2+F. PotEvstime-correct.png (file) 40 KB   2
14:55, 18 May 2017 H2 +F- rts.png (file) 82 KB   1
12:27, 18 May 2017 P1=-1.25, p2=-2.5.png (file) 99 KB   1
12:26, 18 May 2017 P1=-2.5, p2=-5.0.png (file) 100 KB   1
12:25, 18 May 2017 P1=-2.5, p2=-5.2.png (file) 100 KB   1
12:24, 18 May 2017 P1=-1.5, p2=-2.5.png (file) 96 KB   1
12:18, 18 May 2017 P1=-1.5, p2=-2.0.png (file) 95 KB   1
14:41, 16 May 2017 Dynamics- H2.png (file) 98 KB   1
14:37, 16 May 2017 Mep- H2 +H.png (file) 95 KB   1
13:51, 16 May 2017 H2+H distances vs time.png (file) 43 KB   1
16:05, 4 March 2016 AC HBr vibrations.png (file) 14 KB   1
16:01, 4 March 2016 AC HBR OPTIMISATION.LOG (file) 245 KB   1
15:38, 3 March 2016 AC HCl orbitals 7.real.png (file) 36 KB   2
15:36, 3 March 2016 AC HCl orbitals 10.real.png (file) 38 KB   1
15:33, 3 March 2016 AC HCl orbitals 8.real.png (file) 35 KB   1
15:28, 3 March 2016 AC HCl orbitals 6.real.png (file) 37 KB   1
15:26, 3 March 2016 AC HCl orbitals 1.real.png (file) 31 KB   1
15:06, 3 March 2016 AC HCl Orbital 6.png (file) 37 KB   1
15:05, 3 March 2016 AC HCl Orbital 2.png (file) 27 KB   1
15:04, 3 March 2016 AC HCl Orbital 10.png (file) 49 KB   1
15:11, 1 March 2016 AC HCl Charges.png (file) 17 KB   1
15:05, 1 March 2016 AC HCl optimisation.png (file) 15 KB   1
15:02, 1 March 2016 AC HCL OPTIMISATION.LOG (file) 149 KB   1
16:20, 29 February 2016 AC N2 vibrations.png (file) 20 KB   1
16:16, 29 February 2016 AC H2 vibrations.png (file) 21 KB   1
16:12, 29 February 2016 AC H2 OPTIMISATION.LOG (file) 95 KB   1
16:08, 29 February 2016 AC N2 OPTIMISATION.LOG (file) 205 KB   2
15:25, 29 February 2016 AC N2 molecule.PNG (file) 18 KB   1
16:24, 22 February 2016 Display vibrations nh3 opt.png (file) 16 KB   1
16:03, 22 February 2016 AC NH3 OPTF POP.LOG (file) 228 KB   3
16:01, 22 February 2016 AC nh3 optf pop.gjf (file) 432 bytes   1
16:01, 22 February 2016 AC nh3 optf pop.chk (file) 696 KB   1
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