User contributions for Ja1915

25 February 2016

• 17:0917:09, 25 February 2016 diff hist 0 Rep:Mod:JA97 No edit summary
• 17:0917:09, 25 February 2016 diff hist 0 File:James Albon H2O optimisation.log Ja1915 uploaded a new version of File:James Albon H2O optimisation.log
• 17:0817:08, 25 February 2016 diff hist 0 Rep:Mod:JA97 No edit summary
• 17:0717:07, 25 February 2016 diff hist +278 Rep:Mod:JA97 No edit summary
• 17:0617:06, 25 February 2016 diff hist 0 N File:James Albon H2O optimisation.log No edit summary
• 17:0517:05, 25 February 2016 diff hist 0 File:H2O optimisation.chk Ja1915 uploaded a new version of File:H2O optimisation.chk current
• 17:0017:00, 25 February 2016 diff hist 0 N File:H2O optimisation.chk No edit summary
• 16:5216:52, 25 February 2016 diff hist +1,178 Rep:Mod:JA97 No edit summary
• 16:3916:39, 25 February 2016 diff hist 0 N File:Molecular orbital 7.PNG No edit summary current
• 16:3816:38, 25 February 2016 diff hist 0 N File:Molecular orbital 5.PNG No edit summary current
• 16:3816:38, 25 February 2016 diff hist 0 N File:Molecular orbital 4.PNG No edit summary current
• 16:3816:38, 25 February 2016 diff hist 0 N File:Molecular orbital 3.PNG No edit summary current
• 16:3816:38, 25 February 2016 diff hist 0 N File:Molecular orbital 2 latest.PNG No edit summary current
• 16:1116:11, 25 February 2016 diff hist 0 N File:Molecular orbital 2.PNG No edit summary current
• 15:3215:32, 25 February 2016 diff hist +224 Rep:Mod:JA97 No edit summary
• 15:2815:28, 25 February 2016 diff hist +42 Rep:Mod:JA97 No edit summary
• 15:2515:25, 25 February 2016 diff hist +320 Rep:Mod:JA97 No edit summary
• 15:2215:22, 25 February 2016 diff hist 0 N File:Moving vibrations 6.gif No edit summary
• 15:2215:22, 25 February 2016 diff hist 0 N File:Moving vibrations 5.gif No edit summary
• 15:2115:21, 25 February 2016 diff hist 0 N File:Moving vibration 4.gif No edit summary current
• 15:2115:21, 25 February 2016 diff hist 0 N File:Moving vibration 3.gif No edit summary current
• 15:2115:21, 25 February 2016 diff hist 0 N File:Moving vibration 3 H2O.gif No edit summary current
• 15:2115:21, 25 February 2016 diff hist 0 N File:Moving vibration 2.gif No edit summary current
• 15:2015:20, 25 February 2016 diff hist 0 N File:Moving vibration 2 H2O.gif No edit summary current
• 15:2015:20, 25 February 2016 diff hist 0 N File:Moving vibration 1.gif No edit summary current
• 15:2015:20, 25 February 2016 diff hist 0 N File:Moving vibration 1 H2O.gif No edit summary current
• 15:0715:07, 25 February 2016 diff hist +426 Rep:Mod:JA97 No edit summary
• 14:4214:42, 25 February 2016 diff hist −3 Rep:Mod:JA97 No edit summary
• 14:3514:35, 25 February 2016 diff hist +473 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 14:2314:23, 25 February 2016 diff hist +62 Rep:Mod:JA97 No edit summary
• 14:1814:18, 25 February 2016 diff hist 0 N File:Vibrations NH3.PNG No edit summary current
• 14:1814:18, 25 February 2016 diff hist 0 N File:Vibrations H2O.PNG No edit summary current
• 14:1714:17, 25 February 2016 diff hist 0 N File:O2 summary.PNG No edit summary current
• 14:1714:17, 25 February 2016 diff hist 0 N File:N2 summary.PNG No edit summary current
• 14:1714:17, 25 February 2016 diff hist 0 N File:H2O charge.PNG No edit summary current
• 14:1614:16, 25 February 2016 diff hist 0 N File:H2 summary.PNG No edit summary
• 14:1014:10, 25 February 2016 diff hist +4 Rep:Mod:JA97 No edit summary
• 14:0914:09, 25 February 2016 diff hist +32 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 14:0614:06, 25 February 2016 diff hist 0 N File:Charge NH3 screenshot.PNG No edit summary current

24 February 2016

• 21:1621:16, 24 February 2016 diff hist +231 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 20:5920:59, 24 February 2016 diff hist +1,054 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 20:5120:51, 24 February 2016 diff hist +169 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 20:4420:44, 24 February 2016 diff hist +176 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 20:2420:24, 24 February 2016 diff hist +1,540 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 19:4919:49, 24 February 2016 diff hist +1,090 Rep:Mod:JA97 No edit summary Tag: Visual edit

22 February 2016

• 15:5515:55, 22 February 2016 diff hist +21 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 15:5315:53, 22 February 2016 diff hist 0 N File:James Albon NH3 Molecule Optimisation.LOG No edit summary current
• 15:4215:42, 22 February 2016 diff hist +187 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 15:3515:35, 22 February 2016 diff hist +24 Rep:Mod:JA97 No edit summary Tag: Visual edit
• 15:2315:23, 22 February 2016 diff hist +1,824 N Rep:Mod:JA97 Created page with "'''NH3 Molecule''' What is the molecule? - NH3 What is the calculation method? RB3LYP What is the basis set? 6-31G(dp) What is the final energy E(RB3LYP) in atomic units (au)..."