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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_P_SACs/M_tr_C4P0_C5P1/Ir_tr_C4P0_C5P1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -645.26225068; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C4P2_C5P1/Zn_sq_C4P2_C5P1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -612.04586851; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P0_C5P2/Os_tr_C4P0_C5P2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -651.04436662; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P0_C5P2/Pd_tr_C4P0_C5P2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -645.97302433; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P0_C5P2/Pt_tr_C4P0_C5P2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -646.67957243; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P0_C5P2/Rh_tr_C4P0_C5P2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -648.02344991; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C4P2_C5P1/Ru_sq_C4P2_C5P1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -620.73669137; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P0_C5P2/Pd_tr_C4P0_C5P2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -647.09698210; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P0_C5P2/Pt_tr_C4P0_C5P2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -645.73880763; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C4P2_C5P1/Rh_sq_C4P2_C5P1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -619.29030927; eV |
Results 50411-50420 of 104124 (Search time: 0.034 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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