User contributions for Tbucko
19 January 2024
- 10:5110:51, 19 January 2024 diff hist +566 N LTSSURF Created page with "{{TAGDEF|LTSSURF|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: if {{TAGDEF|LTSSURF}} set to .TRUE., the standard parametrization of the Tkatchenko-Scheffler method is replaced by the one designed to enable reliable modeling of structure and stability for a broad class of organic molecules adsorbed on metal surfaces is activated<ref>[https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.035118 V. G. Ruiz, W. Liu, and A. Tkatchenko, Phys. Rev. B 93, 035118 (2016).]</ref..."
- 10:4810:48, 19 January 2024 diff hist +8 Tkatchenko-Scheffler method No edit summary current
- 10:4710:47, 19 January 2024 diff hist +106 Tkatchenko-Scheffler method No edit summary
- 10:4610:46, 19 January 2024 diff hist 0 IVDW No edit summary
- 10:4510:45, 19 January 2024 diff hist +1 IVDW No edit summary
1 December 2023
- 22:5822:58, 1 December 2023 diff hist −2 TI LAMBDA No edit summary current Tag: Visual edit: Switched
- 16:0816:08, 1 December 2023 diff hist +484 Construction:Müller-Plathe method No edit summary
- 16:0416:04, 1 December 2023 diff hist +89 Construction:Müller-Plathe method No edit summary
- 16:0016:00, 1 December 2023 diff hist −1 Construction:Müller-Plathe method No edit summary
- 15:5915:59, 1 December 2023 diff hist +338 Construction:Müller-Plathe method No edit summary
- 10:3410:34, 1 December 2023 diff hist −84 Construction:Müller-Plathe method No edit summary
- 09:2509:25, 1 December 2023 diff hist +190 Construction:Müller-Plathe method No edit summary
- 09:2109:21, 1 December 2023 diff hist +60 Construction:Müller-Plathe method No edit summary
30 November 2023
- 16:1316:13, 30 November 2023 diff hist +9 Intrinsic-reaction-coordinate calculations →Practical example current
- 16:1216:12, 30 November 2023 diff hist +16 Intrinsic-reaction-coordinate calculations →Practical example
- 16:1116:11, 30 November 2023 diff hist +80 Intrinsic-reaction-coordinate calculations →Practical example
- 16:0816:08, 30 November 2023 diff hist +100 Intrinsic-reaction-coordinate calculations No edit summary Tag: Visual edit
- 16:0716:07, 30 November 2023 diff hist +187 Intrinsic-reaction-coordinate calculations →Practical example Tag: Visual edit
- 16:0416:04, 30 November 2023 diff hist +24 Intrinsic-reaction-coordinate calculations →Practical example
- 16:0316:03, 30 November 2023 diff hist +61 N File:IrcExample1.png an IRC profile generated in a practical example current