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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 11-Nov-2022 | /N_din6_as_c0 sc | Minotaki, Maria | vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | Single point | DFT | - | -618.51322600; eV |
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- 2955 Carbon
- 2747 Pyridinic
- 2747 Pyrrolic
- 2731 Graphene
- 2731 Single Atom Catalyst
- 240 Phosphorus
- 240 Porphine
- 240 Sulfur
- 224 Transition metals
- 28 Transition Metals
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Method
- 2971 DFT