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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Nov-2022 | /M_N_din4_x2_c5_b_2/Co_N_din4_x2_c5_b_2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -624.57073276; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c5_b_2/Zn_N_din4_x2_c5_b_2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -619.40132385; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c5_b_2/Os_N_din4_x2_c5_b_2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -627.38171476; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c6/Os_N_din4_x2_c6 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -629.25681680; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c5_b_2/Ni_N_din4_x2_c5_b_2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -623.05117855; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c5_b_2/Rh_N_din4_x2_c5_b_2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -624.31523662; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c5_b_2/Pt_N_din4_x2_c5_b_2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -627.68681009; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c6/Cd_N_din4_x2_c6 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -616.77729014; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c5_b_2/Cd_N_din4_x2_c5_b_2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -618.02469477; eV | |||
| 10-Nov-2022 | /M_N_din4_x2_c5_b_2/Pd_N_din4_x2_c5_b_2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -625.77937889; eV |
Results 28441-28450 of 104510 (Search time: 0.017 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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