User contributions for Lem215

13 May 2017

• 13:2613:26, 13 May 2017 diff hist 0 N File:Lem215 fig4.png No edit summary current
• 13:2613:26, 13 May 2017 diff hist 0 N File:Lem215 fig3.png No edit summary current
• 13:2213:22, 13 May 2017 diff hist +1,183 MRD:LaraMetcalf →Molecular Reaction Dynamics Lab
• 13:1313:13, 13 May 2017 diff hist 0 N File:Lem215 fig2.png No edit summary current
• 13:1213:12, 13 May 2017 diff hist +5 N File:Lem215 fig1.png fig 1 current

11 May 2017

• 21:0521:05, 11 May 2017 diff hist +1,189 MRD:LaraMetcalf →Molecular Reaction Dynamics Lab
• 16:3216:32, 11 May 2017 diff hist +39 N MRD:LaraMetcalf Created page with "=== Molecular Reaction Dynamics Lab ==="

3 March 2016

• 15:5615:56, 3 March 2016 diff hist +54 Rep:Mod:lem215 →Molecular Orbitals
• 15:4915:49, 3 March 2016 diff hist +5 Rep:Mod:lem215 →Reaction Energy
• 15:4915:49, 3 March 2016 diff hist −2 Rep:Mod:lem215 →Reaction Energy
• 15:4915:49, 3 March 2016 diff hist 0 File:MO4 215.jpg Lem215 uploaded a new version of File:MO4 215.jpg current
• 15:4615:46, 3 March 2016 diff hist +1,047 Rep:Mod:lem215 →Part 2: Independently chosen small molecule, HCl.
• 15:4515:45, 3 March 2016 diff hist −1,046 Rep:Mod:lem215 →Part 1
• 15:4315:43, 3 March 2016 diff hist +112 Rep:Mod:lem215 →Reaction Energy
• 15:3615:36, 3 March 2016 diff hist −6 Rep:Mod:lem215 →Reaction Energy
• 15:3215:32, 3 March 2016 diff hist +730 Rep:Mod:lem215 →Independently chosen small molecule: HCl
• 14:5914:59, 3 March 2016 diff hist +299 Rep:Mod:lem215 →Independently chosen small molecule: HCl
• 14:5114:51, 3 March 2016 diff hist 0 N File:MO5 215.jpg No edit summary current
• 14:4614:46, 3 March 2016 diff hist 0 N File:MO4 215.jpg No edit summary
• 14:4314:43, 3 March 2016 diff hist 0 File:MO3 215.jpg Lem215 uploaded a new version of File:MO3 215.jpg current
• 14:4014:40, 3 March 2016 diff hist 0 N File:MO3 215.jpg No edit summary
• 14:3514:35, 3 March 2016 diff hist +552 Rep:Mod:lem215 →Independently chosen small molecule: HCl
• 14:3114:31, 3 March 2016 diff hist 0 N File:MO2 215.jpg No edit summary current
• 14:2514:25, 3 March 2016 diff hist 0 File:MO1 215.jpg Lem215 uploaded a new version of File:MO1 215.jpg current
• 14:2314:23, 3 March 2016 diff hist 0 N File:MO1 215.jpg No edit summary

29 February 2016

• 16:5316:53, 29 February 2016 diff hist 0 Rep:Mod:lem215 →Independently chosen small molecule: HCl
• 16:5316:53, 29 February 2016 diff hist +158 Rep:Mod:lem215 →Independently chosen small molecule: HCl
• 16:5216:52, 29 February 2016 diff hist 0 N File:Atomiccharges215.jpg No edit summary current
• 16:4916:49, 29 February 2016 diff hist +1,707 Rep:Mod:lem215 →Energy for the reaction of N2 + 3H2 -> 2NH3
• 16:4916:49, 29 February 2016 diff hist 0 N File:Display vibrations hcl215.jpg No edit summary current
• 16:4516:45, 29 February 2016 diff hist 0 N File:HCL OPTIMISED215.LOG No edit summary current
• 16:2216:22, 29 February 2016 diff hist +90 Rep:Mod:lem215 →Energy for the reaction of N2 + 3H2 -> 2NH3
• 16:2016:20, 29 February 2016 diff hist +262 Rep:Mod:lem215 →Optimised H2
• 16:1516:15, 29 February 2016 diff hist +1,673 Rep:Mod:lem215 →Optimised N2
• 16:1516:15, 29 February 2016 diff hist 0 N File:Display vibrations h2 215.jpg No edit summary current
• 16:1316:13, 29 February 2016 diff hist 0 N File:H2 OPTIMISED215.LOG No edit summary current
• 16:0316:03, 29 February 2016 diff hist +1 Rep:Mod:lem215 →Optimised N2
• 16:0316:03, 29 February 2016 diff hist 0 N File:Display vibrations n2 215.jpg No edit summary current
• 16:0016:00, 29 February 2016 diff hist +357 Rep:Mod:lem215 →Optimised N2
• 16:0016:00, 29 February 2016 diff hist 0 N File:Display vibrations2 215.jpg No edit summary current
• 15:5815:58, 29 February 2016 diff hist 0 N File:N2 OPTIMISED215.LOG No edit summary current
• 15:5715:57, 29 February 2016 diff hist +1,242 Rep:Mod:lem215 →Optimised NH3
• 15:5615:56, 29 February 2016 diff hist +1,337 Rep:Mod:lem215 →Part 1
• 15:4515:45, 29 February 2016 diff hist +188 Rep:Mod:lem215 →Part 1
• 15:4215:42, 29 February 2016 diff hist +603 Rep:Mod:lem215 →Part 1
• 15:3015:30, 29 February 2016 diff hist 0 N File:Display vibrations215.jpg No edit summary current
• 15:2615:26, 29 February 2016 diff hist 0 N File:Display vibrations.jpg No edit summary
• 15:2615:26, 29 February 2016 diff hist +43 Rep:Mod:lem215 →Part 1
• 15:0815:08, 29 February 2016 diff hist 0 N File:Nh3 o215.LOG No edit summary current
• 15:0115:01, 29 February 2016 diff hist +752 N Rep:Mod:lem215 Created page with " == Part 1 == <pre> Molecule: Optimized NH3 Calculation method: RB3LYP Base set: 6-31G(d.p) Final energy E(RB3LYP) in atomic units (au): -56.44397188 RMS gradient: 0.0539956..."