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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 M11 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2524.46384246; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M12 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2524.44501161; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M14 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2179.04754313; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M13 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2179.08283397; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M9 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2246.80750591; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M6 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2513.63652596; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M8 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2168.23526023; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M7 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2168.26400947; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M10 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -1046.40369141; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M25 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2057.31356292; Eh |
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