User contributions for Ige15

16:2516:25, 21 May 2018 diff hist 0 N File:Activationenergy HH IGE.png No edit summary current
16:0916:09, 21 May 2018 diff hist 0 N File:Activationenergy HF IGE.png No edit summary current
16:0316:03, 21 May 2018 diff hist +86 MRD:IGE15 →Locate the approximate position of the transition state.
15:5215:52, 21 May 2018 diff hist +237 MRD:IGE15 No edit summary
15:5115:51, 21 May 2018 diff hist 0 N File:HHF distance TS IGE.png No edit summary current
15:5015:50, 21 May 2018 diff hist +422 MRD:IGE15 →H - H - F System
15:5015:50, 21 May 2018 diff hist 0 N File:HHF TS contour IGE.png No edit summary current
15:3915:39, 21 May 2018 diff hist −1 MRD:IGE15 →H - H - F System
15:3815:38, 21 May 2018 diff hist +649 MRD:IGE15 No edit summary
15:2715:27, 21 May 2018 diff hist 0 N File:HHF surface IGE.png No edit summary current
12:4412:44, 21 May 2018 diff hist +1,251 MRD:IGE15 /* Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens alon...
12:2612:26, 21 May 2018 diff hist +788 MRD:IGE15 /* Complete the table by adding a column with the total energy, and another column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a plot of the trajectory and a small description for what happens alon...
12:0912:09, 21 May 2018 diff hist +1,385 MRD:IGE15 →Comment on how the mep and the trajectory you just calculated differ.
12:0212:02, 21 May 2018 diff hist 0 N File:IGE Trajectory5.png No edit summary current
12:0212:02, 21 May 2018 diff hist 0 N File:IGE Trajectory4.png No edit summary current
12:0212:02, 21 May 2018 diff hist 0 N File:IGE Trajectory3.png No edit summary current
12:0212:02, 21 May 2018 diff hist 0 N File:IGE Trajectory2.png No edit summary current
12:0212:02, 21 May 2018 diff hist 0 N File:IGE Trajectory1.png No edit summary current
11:3511:35, 21 May 2018 diff hist +158 MRD:IGE15 →Comment on how the mep and the trajectory you just calculated differ.
11:3311:33, 21 May 2018 diff hist +49 MRD:IGE15 No edit summary
11:3111:31, 21 May 2018 diff hist +357 MRD:IGE15 →H - H - H System
11:3111:31, 21 May 2018 diff hist 0 N File:Dynamics contour IGE.png No edit summary current
11:3111:31, 21 May 2018 diff hist 0 N File:MEP contour IGE.png No edit summary current
11:1111:11, 21 May 2018 diff hist 0 N File:Internuclear Distance IGE.PNG No edit summary current
09:5709:57, 21 May 2018 diff hist +1,500 N MRD:IGE15 Created page with "== Introduction == Chemical reactions can be modeled using Newtonian mechanics and ignoring quantum mechanical phenomena. I will be studying systems based on the collision of..."

14:4214:42, 10 May 2018 diff hist +11 Rep:Mod:IGE15 →Low Frequencies Table
14:4214:42, 10 May 2018 diff hist +386 Rep:Mod:IGE15 →IR Spectrum
14:3414:34, 10 May 2018 diff hist +9 Rep:Mod:IGE15 →Computed vs LCAO MO comparison
13:5813:58, 10 May 2018 diff hist 0 Rep:Mod:IGE15 →Log file
13:5713:57, 10 May 2018 diff hist +5 Rep:Mod:IGE15 →Optimisation summary
13:5713:57, 10 May 2018 diff hist −8 Rep:Mod:IGE15 →Log file
13:5713:57, 10 May 2018 diff hist +8 Rep:Mod:IGE15 →Log file
13:5613:56, 10 May 2018 diff hist 0 N File:IGE NH3BH3 freq summary.PNG No edit summary current
13:5313:53, 10 May 2018 diff hist −4 Rep:Mod:IGE15 →Log file
13:5313:53, 10 May 2018 diff hist 0 File:IGE NH3BH3 FREQ.LOG Ige15 uploaded a new version of File:IGE NH3BH3 FREQ.LOG current
13:5113:51, 10 May 2018 diff hist −11 Rep:Mod:IGE15 →Optimisation summary
13:5013:50, 10 May 2018 diff hist 0 N File:IGE BH3 summary.PNG No edit summary current
13:4213:42, 10 May 2018 diff hist +470 Rep:Mod:IGE15 →Aromaticity Discussion
13:3413:34, 10 May 2018 diff hist +49 Rep:Mod:IGE15 →MOs
13:3113:31, 10 May 2018 diff hist +359 Rep:Mod:IGE15 →Aromaticity Discussion
13:2413:24, 10 May 2018 diff hist 0 Rep:Mod:IGE15 →Low Frequencies Table
13:2013:20, 10 May 2018 diff hist 0 Rep:Mod:IGE15 →Log file
13:1913:19, 10 May 2018 diff hist 0 Rep:Mod:IGE15 →jmol image
13:1913:19, 10 May 2018 diff hist −6 Rep:Mod:IGE15 →Log file

21 May 2018

11 May 2018

10 May 2018