User contributions for Em1815

23 October 2017

• 10:2810:28, 23 October 2017 diff hist +2,348 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 10:0210:02, 23 October 2017 diff hist +348 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 09:4609:46, 23 October 2017 diff hist +107 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 09:3909:39, 23 October 2017 diff hist +115 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 09:3509:35, 23 October 2017 diff hist +347 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 09:2609:26, 23 October 2017 diff hist +127 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 09:2509:25, 23 October 2017 diff hist +319 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 09:1709:17, 23 October 2017 diff hist +332 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids

22 October 2017

• 22:1022:10, 22 October 2017 diff hist +37 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 22:0822:08, 22 October 2017 diff hist +581 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 21:4821:48, 22 October 2017 diff hist +289 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 21:4321:43, 22 October 2017 diff hist +1 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 21:3821:38, 22 October 2017 diff hist +713 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 21:2021:20, 22 October 2017 diff hist +242 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 20:1620:16, 22 October 2017 diff hist +348 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 11:5711:57, 22 October 2017 diff hist 0 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 11:3511:35, 22 October 2017 diff hist +341 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 10:2810:28, 22 October 2017 diff hist +850 Rep:EMMdssl2017 →Molecular dynamics simulations of simple liquids
• 10:0910:09, 22 October 2017 diff hist 0 Rep:EMMdssl2017 No edit summary
• 10:0910:09, 22 October 2017 diff hist +4 Rep:EMMdssl2017 No edit summary
• 09:4909:49, 22 October 2017 diff hist +54 N Rep:EMMdssl2017 Created page with "'''Molecular dynamics simulations of simple liquids'''"

26 May 2017

• 14:4614:46, 26 May 2017 diff hist +54 Em1815 Yr2 M R D →Question 8.Report the activation energy for both reactions.
• 14:4514:45, 26 May 2017 diff hist +218 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
• 14:3514:35, 26 May 2017 diff hist 0 N File:Em1815 minima E H-F.png No edit summary current
• 14:3414:34, 26 May 2017 diff hist 0 N File:Em1815 minima E H-H.png No edit summary current
• 14:3414:34, 26 May 2017 diff hist 0 N File:Em1815 surface plot T S.png No edit summary current
• 11:5411:54, 26 May 2017 diff hist +4 Em1815 Yr2 M R D →Question 7.Locate the approximate position of the transition state.
• 11:5411:54, 26 May 2017 diff hist +1 Em1815 Yr2 M R D →Question 8.Report the activation energy for both reactions.
• 11:5311:53, 26 May 2017 diff hist +3 Em1815 Yr2 M R D →Question 8.Report the activation energy for both reactions.
• 11:5311:53, 26 May 2017 diff hist +221 Em1815 Yr2 M R D No edit summary
• 11:0011:00, 26 May 2017 diff hist +176 Em1815 Yr2 M R D No edit summary
• 10:5510:55, 26 May 2017 diff hist +186 Em1815 Yr2 M R D No edit summary
• 10:5410:54, 26 May 2017 diff hist 0 N File:Internuclear distance T S.png No edit summary current
• 10:0910:09, 26 May 2017 diff hist +527 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
• 10:0010:00, 26 May 2017 diff hist −3 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
• 09:5909:59, 26 May 2017 diff hist +195 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
• 09:5809:58, 26 May 2017 diff hist +2 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
• 09:5809:58, 26 May 2017 diff hist −22 Em1815 Yr2 M R D →EXERCISE 2: F - H - H system 2 system
• 09:5709:57, 26 May 2017 diff hist +1,079 Em1815 Yr2 M R D No edit summary
• 09:2409:24, 26 May 2017 diff hist 0 Em1815 Yr2 M R D →Question 3.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?
• 09:2309:23, 26 May 2017 diff hist +226 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems

24 May 2017

• 23:1023:10, 24 May 2017 diff hist +9 Em1815 Yr2 M R D →Question 4.Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
• 23:0923:09, 24 May 2017 diff hist +1,826 Em1815 Yr2 M R D →Question 4.Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
• 22:2922:29, 24 May 2017 diff hist 0 Em1815 Yr2 M R D →Question 4.Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
• 22:2922:29, 24 May 2017 diff hist +29 Em1815 Yr2 M R D →Question 4.Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
• 22:2822:28, 24 May 2017 diff hist +29 Em1815 Yr2 M R D →Molecular Reaction Dynamics: Applications to Triatomic systems
• 22:2722:27, 24 May 2017 diff hist +5 Em1815 Yr2 M R D →Question 4.Complete the table by adding a column reporting if the trajectory is reactive or unreactive. For each set of initial conditions, provide a screenshot of the trajectory and a small description for what happens along the trajectory.
• 22:2622:26, 24 May 2017 diff hist +51 Em1815 Yr2 M R D No edit summary
• 22:2122:21, 24 May 2017 diff hist +289 Em1815 Yr2 M R D No edit summary
• 22:1422:14, 24 May 2017 diff hist 0 N File:Em1815 rxn 5.png No edit summary current