User contributions for Karsai
26 September 2019
- 11:0911:09, 26 September 2019 diff hist −9 Liquid Si - Freezing →Diffusion
- 11:0811:08, 26 September 2019 diff hist −45 Liquid Si - Freezing →Diffusion
- 11:0011:00, 26 September 2019 diff hist +1 Liquid Si - Freezing →{{TAG|INCAR}}
- 11:0011:00, 26 September 2019 diff hist −161 Liquid Si - Freezing →Pair correlation function
- 10:5910:59, 26 September 2019 diff hist +22 Liquid Si - Freezing →Diffusion
- 10:5810:58, 26 September 2019 diff hist +2 Liquid Si - Freezing →Diffusion
- 10:5210:52, 26 September 2019 diff hist +24 Liquid Si - Freezing →Calculation
- 10:4910:49, 26 September 2019 diff hist +7 Liquid Si - Freezing →{{TAG|KPOINTS}}
- 10:4910:49, 26 September 2019 diff hist −1 Liquid Si - Freezing →{{TAG|KPOINTS}}
- 10:4310:43, 26 September 2019 diff hist 0 Liquid Si - Standard MD →Download
- 09:1709:17, 26 September 2019 diff hist +75 Nuclephile Substitution CH3Cl - mMD1 No edit summary
- 08:4108:41, 26 September 2019 diff hist −3 Nuclephile Substitution CH3Cl - mMD1 →Calculation
- 08:4108:41, 26 September 2019 diff hist +1 Nuclephile Substitution CH3Cl - mMD1 →Calculation
- 08:4008:40, 26 September 2019 diff hist +108 Nuclephile Substitution CH3Cl - mMD1 →{{TAG|INCAR}}
- 08:4008:40, 26 September 2019 diff hist +1,450 Nuclephile Substitution CH3Cl - mMD1 →Calculation
- 08:2908:29, 26 September 2019 diff hist +268 Nuclephile Substitution CH3Cl - mMD1 →Calculation
- 08:2708:27, 26 September 2019 diff hist 0 N File:TimeEvol mMD1 CH3Cl.jpg No edit summary current
- 08:2308:23, 26 September 2019 diff hist +7 Nuclephile Substitution CH3Cl - mMD1 →Calculation
- 08:2108:21, 26 September 2019 diff hist +150 Nuclephile Substitution CH3Cl - mMD1 →Calculation
19 September 2019
- 15:5515:55, 19 September 2019 diff hist +1 Nuclephile Substitution CH3Cl - mMD1 →{{TAG|INCAR}}
- 15:5115:51, 19 September 2019 diff hist +80 Molecular dynamics - Tutorial No edit summary
- 15:3915:39, 19 September 2019 diff hist −8 Nuclephile Substitution CH3Cl - mMD2 No edit summary
- 15:3915:39, 19 September 2019 diff hist +1,205 Nuclephile Substitution CH3Cl - mMD2 No edit summary
- 15:3415:34, 19 September 2019 diff hist +152 Nuclephile Substitution CH3Cl - mMD2 No edit summary
- 15:3415:34, 19 September 2019 diff hist +10 Nuclephile Substitution CH3Cl - mMD1 No edit summary
- 15:3315:33, 19 September 2019 diff hist +2,073 Nuclephile Substitution CH3Cl - mMD2 No edit summary
- 15:3015:30, 19 September 2019 diff hist +335 N Nuclephile Substitution CH3Cl - mMD2 Created page with "{{Template:Molecular dynamics - Tutorial}} == Task == In this example the nucleophile substitution of a Cl<sup>-</sup> by another Cl<sup>-</sup> in CH<sub>3</sub>Cl via meta..."
- 15:2715:27, 19 September 2019 diff hist +1 Template:Molecular dynamics - Tutorial No edit summary
- 15:2715:27, 19 September 2019 diff hist +123 Template:Molecular dynamics - Tutorial No edit summary
- 13:4913:49, 19 September 2019 diff hist −6 Nuclephile Substitution CH3Cl - mMD1 →{{TAG|INCAR}}
- 11:3711:37, 19 September 2019 diff hist −25 Nuclephile Substitution CH3Cl - mMD1 →Calculation
- 11:3711:37, 19 September 2019 diff hist +25 Nuclephile Substitution CH3Cl - mMD1 →Calculation
- 11:3711:37, 19 September 2019 diff hist +31 Nuclephile Substitution CH3Cl - mMD1 →Calculation
- 11:3611:36, 19 September 2019 diff hist +1,609 Nuclephile Substitution CH3Cl - mMD1 No edit summary
- 11:2611:26, 19 September 2019 diff hist +1 Nucleophile Substitution CH3Cl - Standard MD →Running the calculation
- 11:2611:26, 19 September 2019 diff hist +146 Nucleophile Substitution CH3Cl - Standard MD →Running the calculation
- 11:2211:22, 19 September 2019 diff hist −603 Nuclephile Substitution CH3Cl - mMD1 →{{TAG|ICONST}}
- 11:2111:21, 19 September 2019 diff hist +960 Nuclephile Substitution CH3Cl - mMD1 No edit summary
- 11:1711:17, 19 September 2019 diff hist −25 Nuclephile Substitution CH3Cl - mMD1 →{{TAG|INCAR}}
- 11:1611:16, 19 September 2019 diff hist +2 Nuclephile Substitution CH3Cl - mMD1 →{{TAG|INCAR}}
- 11:1611:16, 19 September 2019 diff hist −55 Nuclephile Substitution CH3Cl - mMD1 →{{TAG|INCAR}}
18 September 2019
- 16:0016:00, 18 September 2019 diff hist +10 Nucleophile Substitution CH3Cl - Standard MD →Download
- 15:5715:57, 18 September 2019 diff hist +1 Nucleophile Substitution CH3Cl - Standard MD →Download
- 15:5715:57, 18 September 2019 diff hist −1 Nucleophile Substitution CH3Cl - Standard MD →Download
- 15:4415:44, 18 September 2019 diff hist +10 Nucleophile Substitution CH3Cl - Standard MD →Higher temperature - 1000 K
- 15:4315:43, 18 September 2019 diff hist +4 Nucleophile Substitution CH3Cl - Standard MD No edit summary
- 15:4315:43, 18 September 2019 diff hist 0 N File:Histogram 1000K.jpg No edit summary current
16 September 2019
- 09:3909:39, 16 September 2019 diff hist −2 Nucleophile Substitution CH3Cl - Standard MD →Time evolution of distance
- 09:3809:38, 16 September 2019 diff hist 0 Nucleophile Substitution CH3Cl - Standard MD →Time evolution of distance
- 09:3709:37, 16 September 2019 diff hist −1 Nucleophile Substitution CH3Cl - Standard MD →Time evolution of distance