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User contributions for Ak7317

Results for Ak7317 talk block log uploads logs

A user with 256 edits. Account created on 26 February 2018.

22:4422:44, 30 April 2019 diff hist 0 N File:Ak01331511 0907 internuclear dist.png No edit summary
22:3522:35, 30 April 2019 diff hist +302 User:Ak7317 →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?
22:3522:35, 30 April 2019 diff hist −302 User:Ak7317 →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.
22:3422:34, 30 April 2019 diff hist +179 User:Ak7317 →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.
22:3322:33, 30 April 2019 diff hist 0 N File:Ak01331511 orthog.png No edit summary current
22:3222:32, 30 April 2019 diff hist 0 N File:Ak01331511 ab09 table.png No edit summary current
22:2222:22, 30 April 2019 diff hist +10 User:Ak7317 →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.
22:2222:22, 30 April 2019 diff hist 0 User:Ak7317 →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.
22:2122:21, 30 April 2019 diff hist 0 N File:Ak01331511 AB09 surface.png No edit summary current
22:2022:20, 30 April 2019 diff hist +113 User:Ak7317 →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.
22:1822:18, 30 April 2019 diff hist +29 User:Ak7317 →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
15:5615:56, 30 April 2019 diff hist +471 User:Ak7317 →Comment on how the mep and the trajectory you just calculated differ Tag: Visual edit
15:5015:50, 30 April 2019 diff hist +78 User:Ak7317 →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.
15:2815:28, 30 April 2019 diff hist +126 User:Ak7317 →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
15:1215:12, 30 April 2019 diff hist +1,314 User:Ak7317 →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
14:3714:37, 30 April 2019 diff hist +193 User:Ak7317 →Exercise 1ː H + H2 system
14:3614:36, 30 April 2019 diff hist +542 User:Ak7317 →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
13:5913:59, 30 April 2019 diff hist +46 User:Ak7317 →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
13:5813:58, 30 April 2019 diff hist +229 User:Ak7317 No edit summary
13:3513:35, 30 April 2019 diff hist −4 User:Ak7317 No edit summary Tag: Visual edit
13:3413:34, 30 April 2019 diff hist +36 User:Ak7317 No edit summary
13:3013:30, 30 April 2019 diff hist +55 N User:Ak7317 Created page with "== Year 2 Physical Lab - Molecular Reaction Dynamics =="

11:5311:53, 1 March 2018 diff hist −168 Rep:Mod:KAT88811 No edit summary
11:2311:23, 1 March 2018 diff hist +70 Rep:Mod:KAT88811 No edit summary
11:2211:22, 1 March 2018 diff hist 0 N File:HCL ir spec cid01331511.PNG No edit summary current
11:2011:20, 1 March 2018 diff hist +550 Rep:Mod:KAT88811 No edit summary
11:2011:20, 1 March 2018 diff hist 0 N File:N2 ir spec cid01331511.PNG No edit summary current
11:1611:16, 1 March 2018 diff hist 0 N File:H2 ir spec cid01331511.PNG No edit summary current
11:1411:14, 1 March 2018 diff hist 0 N File:NH3 ir diagram cid01331511.PNG No edit summary current
11:1211:12, 1 March 2018 diff hist +882 Rep:Mod:KAT88811 No edit summary
10:5910:59, 1 March 2018 diff hist 0 N File:Methanol predicted ir cid01331511.PNG No edit summary current
10:5210:52, 1 March 2018 diff hist 0 N File:Methanol vibrations 01331511.PNG No edit summary current
10:3510:35, 1 March 2018 diff hist +2 Rep:Mod:KAT88811 →Molecular model
10:3410:34, 1 March 2018 diff hist +1,122 Rep:Mod:KAT88811 No edit summary
10:3310:33, 1 March 2018 diff hist 0 N File:METHANOL OPTIMISATION CID01331511.LOG No edit summary current
10:1210:12, 1 March 2018 diff hist +63 Rep:Mod:KAT88811 →Molecular Orbitals
10:0010:00, 1 March 2018 diff hist +128 Rep:Mod:KAT88811 →Energies in kJ/mol
09:4909:49, 1 March 2018 diff hist +220 Rep:Mod:KAT88811 →Vibration modes
09:4809:48, 1 March 2018 diff hist +111 Rep:Mod:KAT88811 →Vibration modes
09:4109:41, 1 March 2018 diff hist +14 Rep:Mod:KAT88811 No edit summary
09:4109:41, 1 March 2018 diff hist +12 Rep:Mod:KAT88811 →Summary
09:4009:40, 1 March 2018 diff hist +14 Rep:Mod:KAT88811 →Summary
09:4009:40, 1 March 2018 diff hist −1 Rep:Mod:KAT88811 →Item table
09:3909:39, 1 March 2018 diff hist +13 Rep:Mod:KAT88811 →NH3 molecule
09:3809:38, 1 March 2018 diff hist +394 Rep:Mod:KAT88811 →Molecular Orbitals
09:3409:34, 1 March 2018 diff hist +17 Rep:Mod:KAT88811 →Molecular model
09:3409:34, 1 March 2018 diff hist +10 Rep:Mod:KAT88811 →Molecular model
09:3309:33, 1 March 2018 diff hist +9 Rep:Mod:KAT88811 →Molecular model

20:4320:43, 27 February 2018 diff hist +2,069 Rep:Mod:KAT88811 →Molecular Orbitals
19:4919:49, 27 February 2018 diff hist +724 Rep:Mod:KAT88811 No edit summary

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