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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 M16 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.50267852; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M13 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.50623517; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M41 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.52505623; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M40 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2057.32656237; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M61 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.55164928; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M59 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.55342748; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M74 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2350.67197759; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M75 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2350.67606436; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M85 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2001.96727367; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M71 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2542.25794131; Eh |
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