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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Jul-2023 | /M_N_SACs/M_tr_C4N1_C5N0/Fe_tr_C4N1_C5N0 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -658.83424439; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_tr_C4N1_C5N0/Ni_tr_C4N1_C5N0 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -655.58803781; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_tr_C4N0_C5N1/Fe_tr_C4N0_C5N1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -658.83393702; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_tr_C4N1_C5N0/Os_tr_C4N1_C5N0 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -661.29259092; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_tr_C4N1_C5N0/Rh_tr_C4N1_C5N0 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -658.79041903; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_tr_C4N1_C5N0/Pd_tr_C4N1_C5N0 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -655.92394670; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_sq_C4N2_C5N2/Ag_sq_C4N2_C5N2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -621.81675812; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_sq_C4N2_C5N2/Ag_sq_C4N2_C5N2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -622.64588606; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_tr_C4X0_C5X0/Zn_tr_C4X0_C5X0 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -649.32373514; eV | |||
 | 31-Jul-2023 | /M_N_SACs/M_tr_C4X0_C5X0/Os_tr_C4X0_C5X0 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -661.02246973; eV |
Results 50961-50970 of 104124 (Search time: 0.031 seconds).
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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
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