User contributions for Wl5015
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4 March 2016
- 14:4914:49, 4 March 2016 diff hist 0 N File:Capture 3s antibonding orbital LWY.PNG No edit summary current
- 14:4814:48, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Atomic Charges
- 14:4714:47, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Display Vibrations
- 14:4714:47, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Atomic Charges
- 14:4714:47, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Display Vibrations
- 14:4714:47, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Atomic Charges
- 14:4714:47, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Display Vibrations
- 14:4614:46, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Atomic Charges
- 14:4614:46, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Display Vibrations
- 14:4614:46, 4 March 2016 diff hist +6 Rep:Mod:LWY0325 →Molecular Orbitals
- 14:4314:43, 4 March 2016 diff hist +92 Rep:Mod:LWY0325 No edit summary
- 14:4114:41, 4 March 2016 diff hist 0 N File:Capture 3s bonding orbital LWY.PNG No edit summary current
- 14:1314:13, 4 March 2016 diff hist +60 Rep:Mod:LWY0325 No edit summary
- 14:1314:13, 4 March 2016 diff hist 0 N File:Capture LWY Cl2 charge.PNG No edit summary current
- 14:1214:12, 4 March 2016 diff hist +67 Rep:Mod:LWY0325 No edit summary
- 14:1214:12, 4 March 2016 diff hist 0 N File:Capture LWY Cl2 vibration.PNG No edit summary current
- 14:0814:08, 4 March 2016 diff hist +76 Rep:Mod:LWY0325 No edit summary
- 14:0514:05, 4 March 2016 diff hist +188 Rep:Mod:LWY0325 No edit summary
- 14:0414:04, 4 March 2016 diff hist 0 N File:LWY CL2 INPUT OPTIMISE.LOG No edit summary
3 March 2016
- 17:0317:03, 3 March 2016 diff hist +596 Rep:Mod:LWY0325 No edit summary
- 16:5516:55, 3 March 2016 diff hist +67 Rep:Mod:LWY0325 No edit summary
- 16:4816:48, 3 March 2016 diff hist −4 Rep:Mod:LWY0325 →N2 molecule
- 16:4816:48, 3 March 2016 diff hist +70 Rep:Mod:LWY0325 No edit summary
- 16:4716:47, 3 March 2016 diff hist +75 Rep:Mod:LWY0325 No edit summary
- 16:3816:38, 3 March 2016 diff hist +38 Rep:Mod:LWY0325 No edit summary
- 16:3216:32, 3 March 2016 diff hist +177 Rep:Mod:LWY0325 →How many modes do you expect from the 3N-6 rule?
- 16:2916:29, 3 March 2016 diff hist +1 Rep:Mod:LWY0325 →Atomic Charges
- 16:2916:29, 3 March 2016 diff hist +1 Rep:Mod:LWY0325 →Atomic Charges
- 16:2916:29, 3 March 2016 diff hist +109 Rep:Mod:LWY0325 →Atomic Charges
- 16:2816:28, 3 March 2016 diff hist 0 Rep:Mod:LWY0325 →Atomic Charges
- 16:2816:28, 3 March 2016 diff hist +108 Rep:Mod:LWY0325 →Atomic Charges
- 16:2616:26, 3 March 2016 diff hist +176 Rep:Mod:LWY0325 →Atomic Charges
- 16:2316:23, 3 March 2016 diff hist +121 Rep:Mod:LWY0325 →How many modes do you expect from the 3N-5 rule? (Linear molecule)
- 16:2216:22, 3 March 2016 diff hist +121 Rep:Mod:LWY0325 →How many modes do you expect from the 3N-5 rule? (Linear molecule)
- 16:1916:19, 3 March 2016 diff hist +72 Rep:Mod:LWY0325 →Which modes are "bending" vibrations and which are "bond stretch" vibrations?
- 16:1716:17, 3 March 2016 diff hist +11 Rep:Mod:LWY0325 →How many bands would you expect to see in an experimental spectrum of gaseous ammonia?
- 16:1716:17, 3 March 2016 diff hist +6 Rep:Mod:LWY0325 →Which mode is highly symmetric?
- 16:1716:17, 3 March 2016 diff hist +7 Rep:Mod:LWY0325 →One mode is known as the "umbrella" mode, which one is this?
- 16:1616:16, 3 March 2016 diff hist −1 Rep:Mod:LWY0325 No edit summary
- 16:1416:14, 3 March 2016 diff hist −586 Rep:Mod:LWY0325 No edit summary
- 16:0916:09, 3 March 2016 diff hist +232 Rep:Mod:LWY0325 No edit summary
- 15:4015:40, 3 March 2016 diff hist +8 Rep:Mod:LWY0325 →The product energy is lower than that of the reactants, so the product is more stable.
- 15:3915:39, 3 March 2016 diff hist +95 Rep:Mod:LWY0325 →Reaction energy of N2 + 3H2 -> 2NH3
- 15:3515:35, 3 March 2016 diff hist −3 Rep:Mod:LWY0325 →Reaction energy of N2 + 3H2 -> 2NH3
- 15:3515:35, 3 March 2016 diff hist +40 Rep:Mod:LWY0325 →ΔE=2*E(NH3)-[E(N2)+3*E(H2)]= 0.05579073 au
- 15:3315:33, 3 March 2016 diff hist +48 Rep:Mod:LWY0325 →Reaction energy of N2 + 3H2 -> 2NH3
- 15:3215:32, 3 March 2016 diff hist +208 Rep:Mod:LWY0325 No edit summary
- 15:2115:21, 3 March 2016 diff hist +68 Rep:Mod:LWY0325 No edit summary
- 15:2015:20, 3 March 2016 diff hist 0 N File:Capture charge distribution H2.PNG No edit summary current
- 15:1915:19, 3 March 2016 diff hist 0 N File:Capture display vibration H2.PNG No edit summary current