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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 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 | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M26 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2057.26850497; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M24 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2402.66731010; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M27 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2135.85237386; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M30 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2425.88021180; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M29 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2425.89452733; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M32 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2080.47121742; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M31 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2080.52297456; Eh | |||
![]() | 18-Jun-2024 | /SP_PBEPBE_GD3MBJ M28 | Ekeli, Jonas B. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -947.808657057; Eh |
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