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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Apr-2020 | /H_coverage/Bare_ZnSe/Neutral Site_7 | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex | Geometry optimization | DFT | - | -51.37394478; eV | |||
 | 17-Apr-2020 | /MEMI_coverage 12pc_coverage | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex | Geometry optimization | DFT | - | -310.60953585; eV | |||
 | 21-Oct-2021 | 22r | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -159.14857771; eV | |||
 | 21-Oct-2021 | Bulk | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 02 2019 15:04:02) complex | Geometry optimization | DFT | - | -43.64842110; eV | |||
 | 17-Apr-2020 | /Surfaces 200_facet | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex | Geometry optimization | DFT | - | -44.04259391; eV | |||
 | 17-Apr-2020 | /H_coverage/MEMI_Znse/Added_electron Site_0 | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex | Geometry optimization | DFT | - | -324.84289721; eV | |||
 | 17-Apr-2020 | /H_coverage/MEMI_Znse/Neutral Site_8 | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex | Geometry optimization | DFT | - | -325.04801952; eV | |||
 | 17-Apr-2020 | /H_coverage/Bare_ZnSe/Neutral Site_10 | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex | Geometry optimization | DFT | - | -50.95324876; eV | |||
 | 17-Apr-2020 | /MEMI_coverage 100pc_coverage | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Oct 24 2018 10:34:10) complex | Geometry optimization | DFT | - | -270.73161277; eV | |||
 | 21-Oct-2021 | 44rd | Mates Torres, Eric | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Mar 18 2020 15:29:06) complex | Geometry optimization | DFT | - | -159.16569674; eV |
Results 111-120 of 160 (Search time: 0.002 seconds).