Browsing by Author Daelman, Nathan
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Mar-2022 | 28-29-30 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only | Geometry optimization | DFT | - | -850.74907240; eV | |||
| 1-Mar-2022 | 28-29-31 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only | Geometry optimization | DFT | - | -850.04230904; eV | |||
| 1-Mar-2022 | 28-29-32 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only | Geometry optimization | DFT | - | -850.09130404; eV | |||
| 1-Mar-2022 | 28-29-33 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only | Geometry optimization | DFT | - | -850.78485336; eV | |||
| 1-Mar-2022 | 28-29-33-35 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -866.35433283; eV | |||
| 1-Mar-2022 | 28-29-34 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only | Geometry optimization | DFT | - | -850.28052805; eV | |||
| 1-Mar-2022 | 28-29-35-36 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -866.30575101; eV | |||
| 1-Mar-2022 | 28-30-35 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -866.16283034; eV | |||
| 1-Mar-2022 | 28-32 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -873.14225769; eV | |||
| 1-Mar-2022 | 28-32-36 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -866.10015104; eV | |||
| 1-Mar-2022 | 28-33-35 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jul 16 2018 11:12:50) gamma-only | Geometry optimization | DFT | - | -850.49397140; eV | |||
| 1-Mar-2022 | 28-35 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -873.21119297; eV | |||
| 1-Mar-2022 | 29-31 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -856.92699544; eV | |||
| 1-Mar-2022 | 29-34 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -873.19319211; eV | |||
| 1-Mar-2022 | 30-32 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -866.71022900; eV | |||
| 1-Mar-2022 | 30-33 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -866.38721025; eV | |||
| 1-Mar-2022 | 30-35 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -866.54906809; eV | |||
| 1-Mar-2022 | 31-35 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -856.84649823; eV | |||
| 1-Mar-2022 | 32-33 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -866.50585382; eV | |||
| 1-Mar-2022 | 32-33-34 | Daelman, Nathan | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jan 31 2018 20:07:58) gamma-only | Geometry optimization | DFT | - | -865.93217559; eV |