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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M46 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.94715231; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M49 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2057.31516667; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M50 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.51370089; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M51 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.51577001; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M54 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.93277957; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M64 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.97005389; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M55 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.93251053; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M56 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.93511796; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M58 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2057.34054817; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M57 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.93424269; Eh |
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