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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Feb-2016 | Ru4c | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -2275.271562; eV | |||
 | 11-Feb-2016 | Ru4 | García, Rodrigo | vasp; 5.2.12; 11Nov11 complex | Ab-Initio Molecular Dynamics | - | - | -2262.346995; eV | |||
 | 23-Jul-2018 | /Molecular_Dynamics Pt2O_MD | Daelman, Nathan | vasp; 5.3.5; 31Mar14 (build May 15 2015 09:43:55) complex | Ab-Initio Molecular Dynamics | DFT | - | -384.08253511; eV | |||
 | 23-Jul-2018 | /Molecular_Dynamics Pt3O_MD | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -381.59336865; eV | |||
 | 23-Jul-2018 | /Molecular_Dynamics Pt4O_MD | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Ab-Initio Molecular Dynamics | DFT | - | -383.45469560; eV | |||
 | 16-Feb-2021 | /AIMD AIMD-au-H2O-Li-0-2000-fs | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1401.93763811; eV | |||
 | 16-Feb-2021 | /AIMD AIMD-au-H2O-Li-CO2-1001-2000-fs | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1425.38168874; eV | |||
 | 16-Feb-2021 | /AIMD AIMD-au-H2O-Na-CO2-1001-2000-fs | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1422.46455052; eV | |||
 | 16-Feb-2021 | /AIMD AIMD-au-H2O-K-CO2-1001-2000-fs | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1424.96670862; eV | |||
 | 16-Feb-2021 | /AIMD AIMD-au-H2O-Na-1711-2000-fs | Dattila, Federico | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -1401.81106613; eV |
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