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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_sq_C5P2_s2/Pd_sq_C5P2_s2 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -639.37066874; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P1/Au_sq_C5P1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -640.47829677; eV | |||
 | 25-Jun-2024 | /Intermediates/Rh/111 CO_3 | Morandi, Santiago | vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex | Geometry optimization | DFT | - | - | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P1_C5P1/Ir_tr_C4P1_C5P1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -649.24044178; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P1_C5P1/Fe_tr_C4P1_C5P1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -649.78528650; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P1_C5P1/Co_tr_C4P1_C5P1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -648.35294128; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P1_C5P1/Cu_tr_C4P1_C5P1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -646.49418502; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P1_C5P1/Co_tr_C4P1_C5P1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -648.90331658; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P1_C5P1/Au_tr_C4P1_C5P1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -645.92261385; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_tr_C4P1_C5P1/Cu_tr_C4P1_C5P1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -645.65965356; eV |
Results 51761-51770 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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