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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M23 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2402.68287365; Eh | ||||
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M20 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2056.07392374; Eh | ||||
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M17 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2401.48806567; Eh | ||||
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M19 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2056.11831657; Eh | ||||
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M18 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2401.47197652; Eh | ||||
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M21 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2134.65775843; Eh | ||||
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M15 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2257.62273084; Eh | ||||
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M22 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -924.605799751; Eh | ||||
18-Jun-2024 | /SP_PBEPBE_GD3MBJ M16 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -923.413063783; Eh |
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