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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_d1/Rh_sq_C5P2_d1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -640.27592980; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d1/Os_sq_C5P2_d1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -642.76953345; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d1/Cu_sq_C5P2_d1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -637.18241174; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d1/Au_sq_C5P2_d1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -635.70259636; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_d2/Pd_sq_C5P2_d2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -638.28252413; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_s1/Au_sq_C5P2_s1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -636.06936172; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_s1/Os_sq_C5P2_s1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -643.59732788; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_s1/Fe_sq_C5P2_s1 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -641.42720377; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_s1/Ir_sq_C5P2_s1 rel_331 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -642.87504432; eV | |||
 | 31-Jul-2023 | /M_P_SACs/M_sq_C5P2_s2/Au_sq_C5P2_s2 rel_111 | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Geometry optimization | DFT | - | -636.49844917; eV |
Results 51051-51060 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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