User contributions for Am12618

15 May 2020

• 22:2322:23, 15 May 2020 diff hist +21 01564233wikireport →Transition State
• 21:3921:39, 15 May 2020 diff hist +36 01564233wikireport →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state.
• 21:3321:33, 15 May 2020 diff hist −88 01564233wikireport →PES inspection
• 21:3121:31, 15 May 2020 diff hist −3 01564233wikireport →By inspecting the potential energy surfaces, 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?
• 21:2921:29, 15 May 2020 diff hist 0 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 21:2921:29, 15 May 2020 diff hist +92 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 21:2721:27, 15 May 2020 diff hist 0 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 21:2621:26, 15 May 2020 diff hist +16 01564233wikireport →Transition State
• 21:2621:26, 15 May 2020 diff hist −20 01564233wikireport →Dynamics from the transition state region
• 21:1021:10, 15 May 2020 diff hist +157 01564233wikireport →Reaction dynamics
• 21:0721:07, 15 May 2020 diff hist +6 01564233wikireport →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state.
• 21:0421:04, 15 May 2020 diff hist +14 01564233wikireport →Discuss how the distribution of energy between different modes (translation and vibration) affect the efficiency of the reaction, and how this is influenced by the position of the transition state.
• 21:0221:02, 15 May 2020 diff hist +185 01564233wikireport →In light of the fact that energy is conserved, discuss the mechanism of release of the reaction energy. Explain how this could be confirmed experimentally
• 20:5720:57, 15 May 2020 diff hist −16 01564233wikireport →Exercise 2:F - H - H system
• 20:5620:56, 15 May 2020 diff hist −9 01564233wikireport No edit summary
• 20:4420:44, 15 May 2020 diff hist +14 01564233wikireport →Transition State Theory
• 20:4120:41, 15 May 2020 diff hist −8 01564233wikireport →Reactive and unreactive trajectories
• 20:3820:38, 15 May 2020 diff hist 0 01564233wikireport →Reactive and unreactive trajectories
• 20:3720:37, 15 May 2020 diff hist +9 01564233wikireport →Reactive and unreactive trajectories
• 20:3620:36, 15 May 2020 diff hist −20 01564233wikireport →Exercise 1: H + H2 system
• 20:3520:35, 15 May 2020 diff hist +48 01564233wikireport →Reactive and unreactive trajectories
• 20:3520:35, 15 May 2020 diff hist +22 01564233wikireport →How do the mep and the trajectory calculated differ
• 20:3420:34, 15 May 2020 diff hist +22 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 20:3120:31, 15 May 2020 diff hist −31 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 20:3020:30, 15 May 2020 diff hist +10 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 20:3020:30, 15 May 2020 diff hist +1 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 20:2920:29, 15 May 2020 diff hist 0 File:Internuclear distances vs Time plot of r1=r2=90.775 pm and p1=p2=0.png Am12618 uploaded a new version of File:Internuclear distances vs Time plot of r1=r2=90.775 pm and p1=p2=0.png current
• 20:2820:28, 15 May 2020 diff hist 0 File:Internuclear distances vs Time plot of r1=r2=90.775 pm and p1=p2=0.png Am12618 uploaded a new version of File:Internuclear distances vs Time plot of r1=r2=90.775 pm and p1=p2=0.png
• 20:2720:27, 15 May 2020 diff hist −9 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 20:2520:25, 15 May 2020 diff hist +2 01564233wikireport →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Inter-nuclear Distances vs Time” plot for a relevant trajectory.
• 20:2320:23, 15 May 2020 diff hist +3 01564233wikireport →Dynamics from the transition state region
• 20:2120:21, 15 May 2020 diff hist 0 01564233wikireport →Transition State
• 20:2020:20, 15 May 2020 diff hist +8 01564233wikireport →Dynamics from the transition state region
• 19:3319:33, 15 May 2020 diff hist +288 01564233wikireport No edit summary
• 18:4818:48, 15 May 2020 diff hist +87 01564233wikireport →Report the activation energy for both reactions
• 18:4618:46, 15 May 2020 diff hist +39 01564233wikireport →Report the activation energy for both reactions
• 18:4618:46, 15 May 2020 diff hist +7 01564233wikireport →Exercise 2:F - H - H system
• 18:4418:44, 15 May 2020 diff hist +13 01564233wikireport →Locate the approximate position of the transition state.
• 18:4018:40, 15 May 2020 diff hist +205 01564233wikireport →Exercise 2:F - H - H system
• 18:3318:33, 15 May 2020 diff hist +147 01564233wikireport →Transition State Theory
• 18:2518:25, 15 May 2020 diff hist +295 01564233wikireport →Reactive and unreactive trajectories
• 18:1918:19, 15 May 2020 diff hist +543 01564233wikireport →MOLECULAR REACTION DYNAMICS
• 17:5517:55, 15 May 2020 diff hist −1 01564233wikireport →Report the activation energy for both reactions
• 17:4917:49, 15 May 2020 diff hist +2 01564233wikireport →Report the activation energy for both reactions
• 17:4917:49, 15 May 2020 diff hist +3 01564233wikireport →Report the activation energy for both reactions
• 17:4817:48, 15 May 2020 diff hist −9 01564233wikireport →By inspecting the potential energy surfaces, 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?
• 17:3317:33, 15 May 2020 diff hist −2 01564233wikireport →Bibiliography
• 17:3117:31, 15 May 2020 diff hist +197 01564233wikireport →Transition State Theory
• 17:2117:21, 15 May 2020 diff hist −34 01564233wikireport →Bibiliography
• 17:1317:13, 15 May 2020 diff hist +11 01564233wikireport →Bibiliography