User contributions for Jed15

17 May 2017

• 23:5823:58, 17 May 2017 diff hist +1,640 MRD:01060479 No edit summary
• 23:3223:32, 17 May 2017 diff hist 0 N File:-1.25,2.5png No edit summary current
• 23:3223:32, 17 May 2017 diff hist +68 MRD:01060479 No edit summary
• 23:3023:30, 17 May 2017 diff hist +20 MRD:01060479 No edit summary Tag: Visual edit: Switched
• 22:1622:16, 17 May 2017 diff hist +227 MRD:01060479 No edit summary Tag: Visual edit
• 22:1322:13, 17 May 2017 diff hist +1,544 MRD:01060479 No edit summary

16 May 2017

• 13:4813:48, 16 May 2017 diff hist +128 MRD:01060479 No edit summary
• 13:4613:46, 16 May 2017 diff hist +242 N MRD:01060479 Created page with "What value does the total gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be..."

26 February 2016

• 14:1814:18, 26 February 2016 diff hist +46 Mod1598 No edit summary current
• 14:0814:08, 26 February 2016 diff hist +113 Mod1598 No edit summary
• 13:5113:51, 26 February 2016 diff hist +751 Mod1598 No edit summary
• 11:4311:43, 26 February 2016 diff hist +320 Mod1598 No edit summary
• 11:2511:25, 26 February 2016 diff hist +1,155 Mod1598 No edit summary
• 11:2511:25, 26 February 2016 diff hist 0 N File:JADAVIES H2O OPT POP.LOG No edit summary current

25 February 2016

• 16:2816:28, 25 February 2016 diff hist +665 Mod1598 No edit summary
• 16:1416:14, 25 February 2016 diff hist +711 Mod1598 No edit summary
• 16:1316:13, 25 February 2016 diff hist 0 N File:JADAVIES CH4 4.jpg No edit summary current
• 16:0016:00, 25 February 2016 diff hist −186 Mod1598 No edit summary
• 15:5715:57, 25 February 2016 diff hist 0 N File:JADAVIES CH4 3.jpg No edit summary current
• 15:5015:50, 25 February 2016 diff hist 0 N File:JADAVIES CH4 2.jpg No edit summary current
• 15:4315:43, 25 February 2016 diff hist +464 Mod1598 No edit summary
• 15:3715:37, 25 February 2016 diff hist 0 N File:JADAVIES CH4.jpg No edit summary current
• 15:1715:17, 25 February 2016 diff hist +1,874 Mod1598 No edit summary
• 14:5814:58, 25 February 2016 diff hist 0 N File:CH4vibrations.jpg No edit summary current
• 14:5714:57, 25 February 2016 diff hist 0 N File:JADAVIES CH4 OPT POP.LOG No edit summary current
• 14:1614:16, 25 February 2016 diff hist +247 Mod1598 No edit summary
• 14:0214:02, 25 February 2016 diff hist 0 N File:JADAVIES H2 OPT POP.LOG No edit summary current
• 14:0214:02, 25 February 2016 diff hist +11 Mod1598 No edit summary
• 14:0014:00, 25 February 2016 diff hist 0 N File:H2vibrations.jpg No edit summary current
• 13:5213:52, 25 February 2016 diff hist +1,248 Mod1598 No edit summary

24 February 2016

• 13:0313:03, 24 February 2016 diff hist +64 Mod1598 No edit summary
• 10:5110:51, 24 February 2016 diff hist +27 Mod1598 No edit summary
• 10:4610:46, 24 February 2016 diff hist 0 N File:VibrationsN2.jpg No edit summary current
• 10:3910:39, 24 February 2016 diff hist +351 Mod1598 No edit summary
• 10:3510:35, 24 February 2016 diff hist 0 N File:JADAVIES N2 OPT POP.LOG No edit summary current
• 10:3310:33, 24 February 2016 diff hist +603 Mod1598 No edit summary

22 February 2016

• 16:4516:45, 22 February 2016 diff hist +383 Mod1598 No edit summary
• 16:3716:37, 22 February 2016 diff hist +388 Mod1598 No edit summary
• 16:2016:20, 22 February 2016 diff hist −5 Mod1598 No edit summary
• 16:2016:20, 22 February 2016 diff hist 0 N File:Vibrations3.jpg No edit summary current
• 16:1416:14, 22 February 2016 diff hist +4 Mod1598 No edit summary
• 16:1316:13, 22 February 2016 diff hist +56 Mod1598 No edit summary
• 16:1216:12, 22 February 2016 diff hist 0 File:Vibrations table.jpg Jed15 uploaded a new version of File:Vibrations table.jpg current
• 15:5615:56, 22 February 2016 diff hist +78 Mod1598 No edit summary
• 15:4915:49, 22 February 2016 diff hist +12 Mod1598 No edit summary
• 15:4715:47, 22 February 2016 diff hist +187 Mod1598 No edit summary
• 15:4415:44, 22 February 2016 diff hist 0 File:JADAVIES NH3 OPT POP.LOG Jed15 uploaded a new version of File:JADAVIES NH3 OPT POP.LOG current
• 15:4415:44, 22 February 2016 diff hist −70 Mod1598 No edit summary
• 15:4015:40, 22 February 2016 diff hist 0 N File:JADAVIES NH3 OPT POP.LOG No edit summary
• 15:2815:28, 22 February 2016 diff hist +720 N Mod1598 Created page with "==<u>Introduction to Molecular Modelling</u> == ===NH₃ molecule=== ====Key Information==== Calculation Method- RB3LYP Basis set- 6-31G(s,p) Final energy E(RB3LYP..."