User contributions for Tr318

15 May 2020

• 21:4121:41, 15 May 2020 diff hist +108 MRD:T01574856 →Question 3 Tag: Visual edit
• 21:3821:38, 15 May 2020 diff hist 0 N File:TrINDTMEP.png No edit summary current
• 21:3821:38, 15 May 2020 diff hist 0 N File:Tr77Dynamicq3.png No edit summary current
• 21:3821:38, 15 May 2020 diff hist 0 N File:MVTQ3.png No edit summary current
• 21:3421:34, 15 May 2020 diff hist +136 MRD:T01574856 →Question 3 Tag: Visual edit
• 21:2921:29, 15 May 2020 diff hist +37 MRD:T01574856 →Question 2 Tag: Visual edit
• 21:2821:28, 15 May 2020 diff hist 0 N File:Tr576FH2AE.png No edit summary current
• 21:2821:28, 15 May 2020 diff hist 0 N File:Tr45HHFAE.png No edit summary current
• 21:2721:27, 15 May 2020 diff hist 0 N File:Tr 77 Momenta1.png No edit summary current
• 21:2621:26, 15 May 2020 diff hist 0 N File:TR 1 FH2TS.png No edit summary current
• 21:2521:25, 15 May 2020 diff hist +42 MRD:T01574856 →Question 4 Tag: Visual edit
• 21:2421:24, 15 May 2020 diff hist −8 MRD:T01574856 →Question 2 Tag: Visual edit
• 21:2321:23, 15 May 2020 diff hist +895 MRD:T01574856 →Question 4 Tag: Visual edit
• 19:1319:13, 15 May 2020 diff hist +798 MRD:T01574856 →Question 5 Tag: Visual edit
• 18:1218:12, 15 May 2020 diff hist +1,020 MRD:T01574856 No edit summary Tag: Visual edit
• 18:0218:02, 15 May 2020 diff hist 0 N File:TR H2HTS.png No edit summary current
• 17:5917:59, 15 May 2020 diff hist 0 N File:TR H2HTScont.png No edit summary current
• 17:1317:13, 15 May 2020 diff hist +7 N File:1TR01574856.png Graph 1 current
• 17:1117:11, 15 May 2020 diff hist 0 File:1zl.png Tr318 uploaded a new version of File:1zl.png current
• 17:0817:08, 15 May 2020 diff hist +158 MRD:T01574856 →Question 4 Tag: Visual edit
• 16:3416:34, 15 May 2020 diff hist +1,030 MRD:T01574856 →Question 2 Tag: Visual edit
• 15:5015:50, 15 May 2020 diff hist +1,895 MRD:T01574856 →Question 4 Tag: Visual edit
• 12:3512:35, 15 May 2020 diff hist +20 MRD:T01574856 →Question 4 Tag: Visual edit
• 12:2812:28, 15 May 2020 diff hist +22 MRD:T01574856 →Question 1 Tag: Visual edit
• 12:2612:26, 15 May 2020 diff hist +213 MRD:T01574856 →Question 4 Tag: Visual edit
• 12:2512:25, 15 May 2020 diff hist +1,099 MRD:T01574856 →Complete the table above by adding the total  energy, whether the trajectory is reactive or unreactive, and provide a  plot of the trajectory and a small description for what happens along  the trajectory. What can you conclude from the table? Tag: Visual edit
• 12:2112:21, 15 May 2020 diff hist −7 MRD:T01574856 → Exercise 1: H + H2 System Tag: Visual edit
• 12:2012:20, 15 May 2020 diff hist −4 MRD:T01574856 → Exercise 1: H + H2 System Tag: Visual edit
• 12:1912:19, 15 May 2020 diff hist +549 MRD:T01574856 →Report your best estimate of the transition state position (rts) and explain your reasoning illustrating it with a “Internuclear Distances vs Time” plot for a relevant trajectory. Tag: Visual edit
• 12:1412:14, 15 May 2020 diff hist +406 MRD:T01574856 → Exercise 1: H + H2 System Tag: Visual edit

14 May 2020

• 06:0406:04, 14 May 2020 diff hist +92 MRD:T01574856 →On a potential energy surface diagram, how is the transition state mathematically defined? How can the transition state be identified, and how can it be distinguished from a local minimum of the potential energy surface? Tag: Visual edit
• 03:2403:24, 14 May 2020 diff hist +14 MRD:T01574856 No edit summary Tag: Visual edit
• 03:2103:21, 14 May 2020 diff hist −10 MRD:T01574856 →Molecular Reaction Dynamics Lab Tag: Visual edit

13 May 2020

• 21:2121:21, 13 May 2020 diff hist +318 MRD:T01574856 →Molecular Reaction Dynamics Lab Tag: Visual edit
• 15:4815:48, 13 May 2020 diff hist +332 N MRD:T01574856 Created page with " == '''Molecular Reaction Dynamics Lab''' == '''Exercise 1''' On a potential energy surface diagram, how is the transition state mathematically defined? How can the transiti..."

22 February 2019

• 15:5915:59, 22 February 2019 diff hist +732 Rep:Mod:01574856 No edit summary
• 15:5715:57, 22 February 2019 diff hist +112 Rep:Mod:01574856 No edit summary Tag: Visual edit
• 15:5515:55, 22 February 2019 diff hist +162 Rep:Mod:01574856 No edit summary Tag: Visual edit
• 15:4515:45, 22 February 2019 diff hist +510 Rep:Mod:01574856 No edit summary Tag: Visual edit
• 15:4015:40, 22 February 2019 diff hist 0 N File:Tamim vib3.PNG No edit summary current
• 15:3915:39, 22 February 2019 diff hist 0 N File:Tamim vib2.PNG No edit summary current
• 15:3915:39, 22 February 2019 diff hist 0 N File:Tamim vib1.PNG No edit summary current
• 15:3415:34, 22 February 2019 diff hist −172 Rep:Mod:01574856 No edit summary
• 15:3415:34, 22 February 2019 diff hist −549 Rep:Mod:01574856 No edit summary
• 15:3115:31, 22 February 2019 diff hist +175 Rep:Mod:01574856 No edit summary
• 15:2915:29, 22 February 2019 diff hist +175 Rep:Mod:01574856 No edit summary
• 15:2715:27, 22 February 2019 diff hist +174 Rep:Mod:01574856 No edit summary
• 15:2315:23, 22 February 2019 diff hist +206 Rep:Mod:01574856 No edit summary
• 15:2215:22, 22 February 2019 diff hist +135 Rep:Mod:01574856 →NH3 Optimisation Tag: Visual edit
• 15:2115:21, 22 February 2019 diff hist 0 N File:TAMIM SH2.LOG No edit summary current