Browsing by Title
Showing results 11477 to 11496 of 63063
< previous
next >
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Mar-2022 | Cu-4O-600K_10ps_1fs-18 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -378.06149137; eV | |||
 | 1-Mar-2022 | Cu-4O-600K_10ps_1fs-19 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -378.96207126; eV | |||
 | 1-Mar-2022 | Cu-4O-600K_10ps_1fs-20 | Geiger, Julian | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only | Ab-Initio Molecular Dynamics | DFT | - | -378.74791450; eV | |||
 | 8-May-2017 | Cu-5-01 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.67380072; eV | |||
 | 8-May-2017 | Cu-5-02 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.02757328; eV | |||
 | 8-May-2017 | Cu-5-03 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.82183435; eV | |||
 | 8-May-2017 | Cu-5-04 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.50638797; eV | |||
 | 8-May-2017 | Cu-5-05 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.31227533; eV | |||
 | 8-May-2017 | Cu-5-06 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.07854092; eV | |||
 | 8-May-2017 | Cu-5-07 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 31 2013 08:47:18) complex | Improved Dimer Method | - | - | -165.20857227; eV | |||
 | 8-May-2017 | Cu-5-08 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.92917572; eV | |||
 | 8-May-2017 | Cu-5-09 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.97568434; eV | |||
 | 8-May-2017 | Cu-5-10 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.46955621; eV | |||
 | 8-May-2017 | Cu-5-11 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.51110874; eV | |||
 | 8-May-2017 | Cu-5-12 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -164.82310069; eV | |||
 | 8-May-2017 | Cu-5-13 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -165.36555230; eV | |||
 | 8-May-2017 | Cu-5-14 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex | Single point | - | - | -156.73444713; eV | |||
 | 8-May-2017 | Cu-5-15 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -158.10132680; eV | |||
 | 8-May-2017 | Cu-5-16 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -158.64316600; eV | |||
 | 8-May-2017 | Cu-5-17 | García Muelas, Rodrigo | vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex | Improved Dimer Method | - | - | -158.60818442; eV |