Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jan-2026 | pd_slab_constant_potential_oh_4_top | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -70.62904306; eV | |||
 | 19-Jan-2026 | pd_slab_constant_potential_oh_1_hcp_freq | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Frequencies | DFT | - | -40.57572387; eV | |||
 | 19-Jan-2026 | pd_slab_o_1_fcc_surf | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Single point | DFT | - | -30.22455279; eV | |||
 | 19-Jan-2026 | pd_slab_o_1_fcc_freq | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Frequencies | DFT | - | -36.29184135; eV | |||
 | 19-Jan-2026 | pd_slab_o_1_fcc | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -36.29188820; eV | |||
 | 19-Jan-2026 | pd_slab_o_1_top | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -36.29222160; eV | |||
 | 19-Jan-2026 | pd_slab_o_1_fcc_ads | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Single point | DFT | - | -1.79832063; eV | |||
 | 19-Jan-2026 | ni_constant_potential_o_1_cont_heights_min_surf | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Single point | DFT | - | -50.91547684; eV | |||
 | 19-Jan-2026 | ni_constant_potential_o_1_cont_heights_1_1_ads | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Single point | DFT | - | -1.78526065; eV | |||
 | 19-Jan-2026 | ni_constant_potential_o_1_cont_heights_min | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Single point | DFT | - | -51.26026829; eV |
Results 392451-392460 of 397899 (Search time: 0.229 seconds).
Discover
Subject
- 12577 Density functional calculations
- 6967 Radicals
- 6799 Ab initio calculations
- 6766 Aromaticity
- 6643 Magnetic properties
- 6348 Electric Field
- 6348 Magnetoelectricity
- 4188 2D Covalent Organic Frameworks
- 3145 Homogeneous catalysis
- 3047 boron
- next >