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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jan-2026 | ag_bulk_encut_latpar_1_03 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -3.43441976; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_latpar_1_04 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -3.41184037; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_latpar_0_98 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -2.99389524; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_latpar_0_96 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -2.45621553; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_latpar_1_01 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -3.37799725; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_latpar_1_00 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -3.29901336; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_latpar_equil | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -3.43473566; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_latpar_1_05 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -3.36782028; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_1000 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -3.28881419; eV | |||
 | 19-Jan-2026 | ag_bulk_encut_500 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -3.29901335; eV |
Results 394811-394820 of 397032 (Search time: 0.218 seconds).
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Subject
- 12381 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6620 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3145 Homogeneous catalysis
- 3047 boron
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