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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Nov-2025 | /sulfate_proj/Cu/phonopy_simulation/c2/CHCO/phonopy/011 011 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | - | |||
| 26-Nov-2025 | /sulfate_proj/Cu/phonopy_simulation/c2/CHCO/phonopy/010 010 | Panja, Suraj | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | - | |||
 | 26-Nov-2024 | /fe_n4c0_o2/fe_n4c0_ho2/fe_n4c0_ho2_N4/sc sc | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -661.54966286; eV | |||
 | 26-Nov-2024 | /fe_n3c1_o2/fe_n3c1_is/fe_n3c1_is_N1/bader bader | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -650.79863600; eV | |||
 | 26-Nov-2024 | /fe_n4c0_o2/fe_n4c0_ho2/fe_n4c0_ho2_N2/dos dos | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -662.93498595; eV | |||
 | 26-Nov-2024 | /fe_n4c0_o2/fe_n4c0_ho2/fe_n4c0_ho2_N0/sc sc | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -662.25637573; eV | |||
 | 26-Nov-2024 | /fe_n3c1_o2/fe_n3c1_is/fe_n3c1_is_N5/bader bader | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | Single point | DFT | - | -649.89433234; eV | |||
 | 26-Nov-2024 | /fe_n4c0_o2/fe_n4c0_is/fe_n4c0_is_N4/sc sc | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -650.56394574; eV | |||
 | 26-Nov-2024 | /fe_n4c0_o2/fe_n4c0_is/fe_n4c0_is_N0/sc sc | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -650.84060613; eV | |||
 | 26-Nov-2024 | /fe_n4c0_o2/fe_n4c0_ho2/fe_n4c0_ho2_N2/sc sc | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -662.86163282; eV |
Results 88761-88770 of 103542 (Search time: 0.054 seconds).
Discover
Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
- next >