User contributions for Dgp12
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17 October 2014
- 09:2609:26, 17 October 2014 diff hist 0 N File:NH3 opt dgp conver.PNG No edit summary current
- 09:2509:25, 17 October 2014 diff hist 0 File:DGP BH3 OPT3-21G summary.PNG Dgp12 uploaded a new version of "File:DGP BH3 OPT3-21G summary.PNG" current
16 October 2014
- 20:0220:02, 16 October 2014 diff hist +660 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 20:0220:02, 16 October 2014 diff hist 0 File:GaBr3 IR spectrum.PNG Dgp12 uploaded a new version of "File:GaBr3 IR spectrum.PNG" current
- 20:0120:01, 16 October 2014 diff hist 0 File:IR spectrum BH3.PNG Dgp12 uploaded a new version of "File:IR spectrum BH3.PNG"
- 19:4719:47, 16 October 2014 diff hist 0 N File:GaBr3 low freq.PNG No edit summary current
- 19:4619:46, 16 October 2014 diff hist 0 N File:GaBr3 freq summary.PNG No edit summary current
- 19:4519:45, 16 October 2014 diff hist 0 N File:DGP GaBr3 pp optimisation frq.log No edit summary current
- 19:2719:27, 16 October 2014 diff hist +375 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 19:2619:26, 16 October 2014 diff hist 0 N File:IR spectrum BH3.PNG No edit summary
- 19:0119:01, 16 October 2014 diff hist +291 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 18:5518:55, 16 October 2014 diff hist 0 N File:DGP BH3 OPT 6-31G NUMBERINO3 FREQ.LOG No edit summary current
- 18:5418:54, 16 October 2014 diff hist 0 N File:BH3 low freq.PNG No edit summary current
- 18:5418:54, 16 October 2014 diff hist 0 N File:BH3 freq summary.PNG No edit summary
14 October 2014
- 13:5713:57, 14 October 2014 diff hist −50 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 13:5213:52, 14 October 2014 diff hist +54 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 13:4913:49, 14 October 2014 diff hist 0 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 13:4613:46, 14 October 2014 diff hist +475 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 13:4413:44, 14 October 2014 diff hist 0 N File:DGP BBr3 pp optimisation.log No edit summary current
- 13:4413:44, 14 October 2014 diff hist 0 N File:DGP BBr3 pp opt.mol No edit summary current
- 13:4413:44, 14 October 2014 diff hist 0 N File:DGP BBr3 pp opt convergence.PNG No edit summary current
- 13:4313:43, 14 October 2014 diff hist 0 N File:DGP BBr3 pp opt summary.PNG No edit summary current
- 13:2213:22, 14 October 2014 diff hist −1 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 13:2013:20, 14 October 2014 diff hist +21 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 13:1913:19, 14 October 2014 diff hist +467 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 13:1713:17, 14 October 2014 diff hist 0 N File:DGP GaBr3 pp optimisation.log No edit summary current
- 13:1613:16, 14 October 2014 diff hist 0 N File:DGP GaBr3 pseudopot opt.mol No edit summary current
- 12:5812:58, 14 October 2014 diff hist 0 N File:DGP GaBr3 pp opt convergence.PNG No edit summary current
- 12:5712:57, 14 October 2014 diff hist 0 N File:DGP GaBr3 pp opt summary.PNG No edit summary current
- 12:5712:57, 14 October 2014 diff hist +1 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 12:1512:15, 14 October 2014 diff hist +32 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 12:1412:14, 14 October 2014 diff hist 0 N File:DGP BH3 OPT 3-21G.mol No edit summary current
- 12:1312:13, 14 October 2014 diff hist 0 N File:DGP BH3 OPT3-21G convergence.PNG No edit summary current
- 12:1312:13, 14 October 2014 diff hist 0 N File:DGP BH3 OPT3-21G summary.PNG No edit summary
- 12:1212:12, 14 October 2014 diff hist 0 N File:DGP BH3 OPT3-21G.LOG No edit summary current
- 12:0712:07, 14 October 2014 diff hist +76 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 12:0612:06, 14 October 2014 diff hist 0 N File:DGP BH3 OPT 6-31G.LOG No edit summary current
- 12:0312:03, 14 October 2014 diff hist +363 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 12:0112:01, 14 October 2014 diff hist 0 N File:DGP BH3 OPT6-31G.mol No edit summary current
- 12:0012:00, 14 October 2014 diff hist 0 N File:DGP BH3 OPT6-31G convergence.PNG No edit summary current
- 12:0012:00, 14 October 2014 diff hist 0 N File:DGP BH3 OPT6-31G summary.PNG No edit summary current
- 11:1211:12, 14 October 2014 diff hist +17 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
13 October 2014
- 19:5819:58, 13 October 2014 diff hist +172 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 19:5719:57, 13 October 2014 diff hist +157 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 19:5419:54, 13 October 2014 diff hist 0 N File:DGP12 BH3 OPT.mol No edit summary current
- 19:4819:48, 13 October 2014 diff hist 0 N File:BH3 convergence.PNG No edit summary current
- 19:4519:45, 13 October 2014 diff hist 0 N File:BH3 sumary.PNG No edit summary current
- 19:4119:41, 13 October 2014 diff hist +70 Rep:Mod:inorgcomplabdgp12 →Inorganic Computational Exercise Year 3
- 19:3919:39, 13 October 2014 diff hist 0 N File:DGP BH3 OPT.log.LOG No edit summary current
- 12:3812:38, 13 October 2014 diff hist +275 N Rep:Mod:inorgcomplabdgp12 Created page with "== Inorganic Computational Exercise Year 3 == === Day 1 === ==== Ex<sub>3</sub> section ==== {| class="wikitable" border="1" |+ test table ! !! BH<sub>3</sub> !! BBr<sub>3</su..."