User contributions for Gm1110

26 May 2017

• 16:3416:34, 26 May 2017 diff hist 0 N File:Gm1110 Q4 Traj 4 internuc dist vs t.jpg No edit summary current
• 16:3416:34, 26 May 2017 diff hist 0 N File:Gm1110 Q4 Traj 3 surface contour.jpg No edit summary current
• 16:3316:33, 26 May 2017 diff hist 0 N File:Gm1110 Q4 Traj 3 internuc dist vs t.jpg No edit summary current
• 16:3216:32, 26 May 2017 diff hist 0 N File:Gm1110 Q4 Traj 2 surface contour.jpg No edit summary current
• 16:3216:32, 26 May 2017 diff hist 0 N File:Gm1110 Q4 Traj 2 internuc dist vs t.jpg No edit summary current
• 16:3116:31, 26 May 2017 diff hist 0 N File:Gm1110 Q4 Traj 1 surface contour.jpg No edit summary current
• 16:3016:30, 26 May 2017 diff hist 0 N File:Gm1110 Q4 Traj 1 internuc dist vs t.jpg No edit summary current
• 16:2816:28, 26 May 2017 diff hist +35 MRD:gm1110 →Q3: Comment on how the mep and the trajectory you just calculated differ.
• 16:2716:27, 26 May 2017 diff hist 0 N File:Gm1110 Q3 Surface (dynamics).jpg No edit summary current
• 16:2716:27, 26 May 2017 diff hist 0 N File:Gm1110 Q3 Surface (mep).jpg No edit summary current
• 16:2516:25, 26 May 2017 diff hist −15 MRD:gm1110 →Q2: Report your best estimate of the transition state position (rts) and explain your reasoning, illustrating it with a "Internuclear Distances vs Time" screenshot for a relevant trajectory.
• 16:2416:24, 26 May 2017 diff hist −40 MRD:gm1110 →Q2: Report your best estimate of the transition state position (rts) and explain your reasoning, illustrating it with a "Internuclear Distances vs Time" screenshot for a relevant trajectory.
• 16:2316:23, 26 May 2017 diff hist 0 N File:Gm1110 Q2 Internuc dist vs t (0.908).jpg No edit summary current
• 16:2216:22, 26 May 2017 diff hist +53 MRD:gm1110 →Q2: Report your best estimate of the transition state position (rts) and explain your reasoning, illustrating it with a "Internuclear Distances vs Time" screenshot for a relevant trajectory.
• 16:2216:22, 26 May 2017 diff hist 0 N File:Gm1110 Q2 Surface cont (0.908, pert 2).jpg No edit summary current
• 16:2116:21, 26 May 2017 diff hist +53 MRD:gm1110 →Q2: Report your best estimate of the transition state position (rts) and explain your reasoning, illustrating it with a "Internuclear Distances vs Time" screenshot for a relevant trajectory.
• 16:1916:19, 26 May 2017 diff hist 0 N File:Gm1110 Q2 Surface cont (0.908, pert 1).jpg No edit summary current
• 16:0616:06, 26 May 2017 diff hist −153 MRD:gm1110 →Q3: Comment on how the mep and the trajectory you just calculated differ.
• 15:3815:38, 26 May 2017 diff hist +1,014 MRD:gm1110 →Q2: Report your best estimate of the transition state position (rts) and explain your reasoning, illustrating it with a "Internuclear Distances vs Time" screenshot for a relevant trajectory.

25 May 2017

• 13:4813:48, 25 May 2017 diff hist −50 MRD:gm1110 →Q1: 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 distinguished using the curvature of the potential energy surface.
• 13:1413:14, 25 May 2017 diff hist +104 MRD:gm1110 →Q6: Classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved?
• 12:2812:28, 25 May 2017 diff hist +110 MRD:gm1110 →Q6: Classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved? Tag: Visual edit

4 May 2017

• 15:5015:50, 4 May 2017 diff hist +434 MRD:gm1110 →Q6: Classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved?
• 15:3315:33, 4 May 2017 diff hist +229 MRD:gm1110 →Q7: Locate the approximate position of the transition state.
• 15:1715:17, 4 May 2017 diff hist +79 MRD:gm1110 →Q6: Classify the F + H2 and H + HF reactions according to their energetics (endothermic or exothermic). How does this relate to the bond strength of the chemical species involved?
• 15:0715:07, 4 May 2017 diff hist +3 MRD:gm1110 →References
• 15:0715:07, 4 May 2017 diff hist +473 MRD:gm1110 →References
• 15:0415:04, 4 May 2017 diff hist −485 MRD:gm1110 →Q5: State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 15:0315:03, 4 May 2017 diff hist −1,081 MRD:gm1110 →Q5: State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 14:2714:27, 4 May 2017 diff hist +3,157 MRD:gm1110 →Q5: State what are the main assumptions of Transition State Theory. Given the results you have obtained, how will Transition State Theory predictions for reaction rate values compare with experimental values?
• 13:4613:46, 4 May 2017 diff hist +86 MRD:gm1110 →References
• 13:4513:45, 4 May 2017 diff hist +7 MRD:gm1110 →Grace's MRD Page woop
• 13:4113:41, 4 May 2017 diff hist +630 MRD:gm1110 →EXERCISE 1: H + H2 system

2 May 2017

• 15:5715:57, 2 May 2017 diff hist +690 MRD:gm1110 →Grace's MRD Page woop
• 15:5615:56, 2 May 2017 diff hist +446 MRD:gm1110 →EXERCISE 1: H + H2 system Tag: Visual edit
• 15:5415:54, 2 May 2017 diff hist +1,921 MRD:gm1110 →EXERCISE 1: H + H2 system
• 13:4513:45, 2 May 2017 diff hist +373 MRD:gm1110 →EXERCISE 1: H + H2 system
• 13:0713:07, 2 May 2017 diff hist +515 MRD:gm1110 →Grace's MRD Page woop
• 12:5512:55, 2 May 2017 diff hist +6 MRD:gm1110 →EXERCISE 1: H + H2 system Tag: Visual edit
• 12:5312:53, 2 May 2017 diff hist +234 MRD:gm1110 →EXERCISE 1: H + H2 system
• 12:5012:50, 2 May 2017 diff hist 0 MRD:gm1110 →EXERCISE 1: H + H2 SYSTEM Tag: Visual edit
• 12:4912:49, 2 May 2017 diff hist +10 MRD:gm1110 →EXERCISE 1: H + H_2 SYSTEM
• 12:4912:49, 2 May 2017 diff hist +8 MRD:gm1110 →Grace's MRD Page woop Tag: Visual edit
• 12:2712:27, 2 May 2017 diff hist +116 N MRD:gm1110 Created page with "==Grace's MRD Page woop== ===Helpful stuff=== Don't forget to log in before hitting edit. ===Real Thing: Part 1==="

11 March 2016

• 17:4717:47, 11 March 2016 diff hist +5 Rep:Mod:greysmurfy →H2 Molecule Analysis
• 17:4617:46, 11 March 2016 diff hist +5 Rep:Mod:greysmurfy →Optimisation Data
• 17:4617:46, 11 March 2016 diff hist +4 Rep:Mod:greysmurfy →NH3 Molecule Analysis
• 17:4517:45, 11 March 2016 diff hist +10 Rep:Mod:greysmurfy →Optimisation Data
• 17:4317:43, 11 March 2016 diff hist −843 Rep:Mod:greysmurfy No edit summary
• 17:1717:17, 11 March 2016 diff hist +61 Rep:Mod:greysmurfy No edit summary