User contributions for Yy11518

20 May 2020

• 12:2412:24, 20 May 2020 diff hist +536 MRD:yy11518 No edit summary
• 12:1812:18, 20 May 2020 diff hist 0 N File:Momenta time MEP H2.png No edit summary current
• 12:1812:18, 20 May 2020 diff hist 0 N File:Momenta time dynamics H2.png No edit summary current
• 12:1712:17, 20 May 2020 diff hist 0 N File:Distance time MEP H2.png No edit summary current
• 12:1612:16, 20 May 2020 diff hist 0 N File:Distance time dynamics H2.png No edit summary current
• 12:0012:00, 20 May 2020 diff hist 0 N File:MEP H2.png No edit summary current
• 12:0012:00, 20 May 2020 diff hist 0 N File:Dynamics H2.png No edit summary current
• 06:1506:15, 20 May 2020 diff hist +89 MRD:yy11518 No edit summary Tag: Visual edit
• 06:1306:13, 20 May 2020 diff hist +1,032 MRD:yy11518 →Q2: 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.
• 05:5305:53, 20 May 2020 diff hist +70 MRD:yy11518 →Q2: 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
• 05:5105:51, 20 May 2020 diff hist +535 MRD:yy11518 →Q2: 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.
• 05:4605:46, 20 May 2020 diff hist 0 N File:Distance time 90.8.png No edit summary current
• 05:4205:42, 20 May 2020 diff hist 0 N File:Distance time 74.png No edit summary current
• 05:0105:01, 20 May 2020 diff hist +326 MRD:yy11518 No edit summary Tag: Visual edit: Switched
• 04:3404:34, 20 May 2020 diff hist 0 N File:Surface Plot TS 90.8.png No edit summary current
• 04:3004:30, 20 May 2020 diff hist 0 N File:Surface Plot TS 74.png No edit summary current
• 04:1904:19, 20 May 2020 diff hist +791 MRD:yy11518 No edit summary Tag: Visual edit

19 May 2020

• 14:0614:06, 19 May 2020 diff hist +62 MRD:yy11518 No edit summary
• 13:4913:49, 19 May 2020 diff hist 0 N File:Q1 equation 1.png No edit summary current
• 13:4913:49, 19 May 2020 diff hist 0 N File:Q1 equation 2.png No edit summary current
• 13:4813:48, 19 May 2020 diff hist +67 MRD:yy11518 →Q1: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
• 13:3913:39, 19 May 2020 diff hist +32 MRD:yy11518 No edit summary
• 13:3613:36, 19 May 2020 diff hist 0 N File:Surface Plot H+H2.png No edit summary current
• 12:3412:34, 19 May 2020 diff hist −72 MRD:yy11518 No edit summary
• 12:3412:34, 19 May 2020 diff hist +410 N MRD:yy11518 Created page with "<nowiki>= Molecular Reaction Dynamics: Applications to Triatomic systems =</nowiki> <nowiki>== EXERCISE 1: H + H2 system ==</nowiki> <nowiki>=== '''</nowiki>Q1:On a pote..." Tag: Visual edit

22 February 2019

• 16:2216:22, 22 February 2019 diff hist −1 Rep:Mod:01520565 →Jmol dynamic information
• 16:1916:19, 22 February 2019 diff hist +1 Rep:Mod:01520565 →Jmol dynamic information
• 16:1816:18, 22 February 2019 diff hist 0 File:LUVIAN CL2 OPT POP.LOG Yy11518 uploaded a new version of File:LUVIAN CL2 OPT POP.LOG current
• 16:1716:17, 22 February 2019 diff hist −13 Rep:Mod:01520565 →Molecular orbital diagrams of Cl2
• 16:1516:15, 22 February 2019 diff hist +8 Rep:Mod:01520565 →Jmol dynamic information
• 16:1416:14, 22 February 2019 diff hist 0 Rep:Mod:01520565 →Optimisation information
• 16:1416:14, 22 February 2019 diff hist 0 Rep:Mod:01520565 →Optimisation information
• 16:1316:13, 22 February 2019 diff hist 0 Rep:Mod:01520565 →General molecular information
• 16:1216:12, 22 February 2019 diff hist −4 Rep:Mod:01520565 →Charge distribution
• 16:0916:09, 22 February 2019 diff hist 0 N File:BF3 V4.gif No edit summary current
• 16:0916:09, 22 February 2019 diff hist +8 Rep:Mod:01520565 →Vibration of BF3
• 16:0216:02, 22 February 2019 diff hist 0 N File:BF3 charge distribution.png No edit summary current
• 16:0016:00, 22 February 2019 diff hist 0 N File:BF3 V6.gif No edit summary current
• 16:0016:00, 22 February 2019 diff hist 0 N File:BF3 V5.gif No edit summary current
• 15:5515:55, 22 February 2019 diff hist 0 N File:BF3 V3.gif No edit summary current
• 15:5415:54, 22 February 2019 diff hist 0 File:BF3 V2.gif Yy11518 uploaded a new version of File:BF3 V2.gif current
• 15:5315:53, 22 February 2019 diff hist 0 N File:BF3 V2.gif No edit summary
• 15:5215:52, 22 February 2019 diff hist 0 N File:BF3 V1.gif No edit summary current
• 15:5115:51, 22 February 2019 diff hist 0 N File:BF3 vibration.png No edit summary current
• 15:5015:50, 22 February 2019 diff hist +2,313 Rep:Mod:01520565 No edit summary
• 15:4615:46, 22 February 2019 diff hist 0 N File:LUVIAN BF3 OPT POP.LOG No edit summary current
• 15:4615:46, 22 February 2019 diff hist +2,457 Rep:Mod:01520565 No edit summary
• 15:3415:34, 22 February 2019 diff hist +1,783 Rep:Mod:01520565 →Molecular orbital diagrams of Cl2
• 14:5014:50, 22 February 2019 diff hist 0 N File:Cl2 3p.png No edit summary current
• 14:5014:50, 22 February 2019 diff hist +757 Rep:Mod:01520565 →Molecular orbital diagrams of Cl2