User contributions for Nk1616
Appearance
24 May 2018
- 11:5411:54, 24 May 2018 diff hist 0 N File:Contour Dynamics nk2018.png No edit summary current
- 11:5211:52, 24 May 2018 diff hist +47 MRD:nk2018 →Comment on how the mep and the trajectory you just calculated differ.
- 11:4711:47, 24 May 2018 diff hist +266 MRD:nk2018 →Comment on how the mep and the trajectory you just calculated differ.
- 11:3311:33, 24 May 2018 diff hist +34 MRD:nk2018 →Comment on how the mep and the trajectory you just calculated differ.
- 11:2711:27, 24 May 2018 diff hist +166 MRD:nk2018 →Comment on how the mep and the trajectory you just calculated differ.
23 May 2018
- 10:5310:53, 23 May 2018 diff hist 0 MRD:nk2018 →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 May 2018
- 15:3915:39, 22 May 2018 diff hist +77 MRD:nk2018 →Exercise 1: H + H2 System
- 15:3315:33, 22 May 2018 diff hist 0 N File:Rts nk2018.png No edit summary current
- 15:3315:33, 22 May 2018 diff hist −8 MRD:nk2018 →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.
- 15:3215:32, 22 May 2018 diff hist +56 MRD:nk2018 →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.
- 15:3215:32, 22 May 2018 diff hist +370 MRD:nk2018 →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.
- 15:1315:13, 22 May 2018 diff hist +191 MRD:nk2018 →Exercise 1: H + H2 System
- 15:1215:12, 22 May 2018 diff hist +221 MRD:nk2018 →Exercise 1: H + H2 System
- 15:0715:07, 22 May 2018 diff hist +63 MRD:nk2018 →Exercise 1: H + H2 System
- 15:0615:06, 22 May 2018 diff hist +793 MRD:nk2018 /* What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential en...
- 14:0814:08, 22 May 2018 diff hist 0 File:Contour Map nk2018.png Nk1616 uploaded a new version of File:Contour Map nk2018.png current
- 13:4413:44, 22 May 2018 diff hist 0 N File:Contour Map nk2018.png No edit summary
- 13:4313:43, 22 May 2018 diff hist +55 MRD:nk2018 /* What value do the different components of the gradient of the potential energy surface have at a minimum and at a transition structure? Briefly explain how minima and transition structures can be distinguished using the curvature of the potential en...
- 13:3813:38, 22 May 2018 diff hist +269 MRD:nk2018 →Exercise 1: H + H2 System
- 13:1113:11, 22 May 2018 diff hist +41 MRD:nk2018 →Molecular Reaction Dynamics Lab
- 12:1412:14, 22 May 2018 diff hist +33 N MRD:nk2018 Created page with "=Molecular Reaction Dynamics Lab="
5 May 2018
- 16:1716:17, 5 May 2018 diff hist +48 Rep:Mod:NKXYZ123 →BBr3
- 16:1516:15, 5 May 2018 diff hist +47 Rep:Mod:NKXYZ123 →NH3BH3
- 16:1416:14, 5 May 2018 diff hist +39 Rep:Mod:NKXYZ123 →NH3
- 16:1416:14, 5 May 2018 diff hist +1 Rep:Mod:NKXYZ123 →BH3
- 16:1416:14, 5 May 2018 diff hist +39 Rep:Mod:NKXYZ123 →BH3
- 16:1316:13, 5 May 2018 diff hist +41 Rep:Mod:NKXYZ123 →Borazine
- 16:1216:12, 5 May 2018 diff hist +39 Rep:Mod:NKXYZ123 →Benzene
- 16:1116:11, 5 May 2018 diff hist +35 Rep:Mod:NKXYZ123 →Aromaticity
- 16:1016:10, 5 May 2018 diff hist +37 Rep:Mod:NKXYZ123 →Aromaticity
- 12:3512:35, 5 May 2018 diff hist +80 Rep:Mod:NKXYZ123 →Aromaticity
- 10:1510:15, 5 May 2018 diff hist +292 Rep:Mod:NKXYZ123 →Aromaticity
- 10:0910:09, 5 May 2018 diff hist +209 Rep:Mod:NKXYZ123 →Aromaticity
- 10:0610:06, 5 May 2018 diff hist −1 Rep:Mod:NKXYZ123 →Aromaticity
- 10:0410:04, 5 May 2018 diff hist +16 Rep:Mod:NKXYZ123 No edit summary
- 10:0310:03, 5 May 2018 diff hist +8 Rep:Mod:NKXYZ123 →Summary Table
- 10:0210:02, 5 May 2018 diff hist −125 Rep:Mod:NKXYZ123 →The formal charges are printed in the tables below
- 09:5909:59, 5 May 2018 diff hist +179 Rep:Mod:NKXYZ123 →The formal charges are printed in the tables below
- 09:5809:58, 5 May 2018 diff hist +32 Rep:Mod:NKXYZ123 →Aromaticity
- 09:5609:56, 5 May 2018 diff hist +572 Rep:Mod:NKXYZ123 →Aromaticity
- 09:4709:47, 5 May 2018 diff hist +973 Rep:Mod:NKXYZ123 →Aromaticity
- 08:1008:10, 5 May 2018 diff hist +104 Rep:Mod:NKXYZ123 →Aromaticity
- 08:0908:09, 5 May 2018 diff hist +126 Rep:Mod:NKXYZ123 →Aromaticity
- 07:5407:54, 5 May 2018 diff hist +48 Rep:Mod:NKXYZ123 →Hückel's Rule
- 07:5107:51, 5 May 2018 diff hist +382 Rep:Mod:NKXYZ123 →Hückel's Rule
- 07:4607:46, 5 May 2018 diff hist +21 Rep:Mod:NKXYZ123 →Aromaticity
- 07:3907:39, 5 May 2018 diff hist +17 Rep:Mod:NKXYZ123 →MO Comparisons
- 07:3907:39, 5 May 2018 diff hist +76 Rep:Mod:NKXYZ123 →The formal charges are printed in the tables below
- 07:3707:37, 5 May 2018 diff hist +88 Rep:Mod:NKXYZ123 →Summary Table
- 07:3407:34, 5 May 2018 diff hist +176 Rep:Mod:NKXYZ123 →MO Comparisons