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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Jan-2026 | ni_constant_potential_h_2_0_998 | Brennan-Pollak, Conor | vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex | Single point | DFT | - | -56.40912684; eV | |||
 | 19-Jan-2026 | ni_constant_potential_h_2_0_996 | Brennan-Pollak, Conor | vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex | Single point | DFT | - | -53.51798016; eV | |||
 | 19-Jan-2026 | ni_constant_potential_h_2_dipole | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -59.08951101; eV | |||
 | 19-Jan-2026 | ni_constant_potential_h_2_freq | Brennan-Pollak, Conor | vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex | Single point | DFT | - | -59.08848649; eV | |||
 | 19-Jan-2026 | ni_constant_potential_h_2 | Brennan-Pollak, Conor | vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex | Single point | DFT | - | -59.08963808; eV | |||
 | 19-Jan-2026 | pd_slab_constant_potential_oh_1_top_cont_cont_1_005 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -46.57423538; eV | |||
 | 19-Jan-2026 | pd_slab_constant_potential_o_4_0_994_cont | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -39.79235407; eV | |||
 | 19-Jan-2026 | pd_slab_constant_potential_h_5_1_006 | Brennan-Pollak, Conor | vasp; 6.2.0; 18Jan21 (build Sep 03 2021 22:41:43) complex | Geometry optimization | DFT | - | -55.93924361; eV | |||
 | 19-Jan-2026 | ni_constant_potential_oh_2_1_002 | Brennan-Pollak, Conor | vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex | Single point | DFT | - | -75.49458176; eV | |||
 | 19-Jan-2026 | ni_constant_potential_oh_2_0_998 | Brennan-Pollak, Conor | vasp; 6.4.2; 20Jul23 (build May 01 2024 18:10:19) complex | Single point | DFT | - | -69.99864121; eV |
Results 392471-392480 of 397899 (Search time: 0.225 seconds).
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- 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
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