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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 M82 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2350.66821264; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M83 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2350.67133258; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M52 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2080.51896652; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M53 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2080.51339949; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M67 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2519.05357547; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M69 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2542.25648908; 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 | |||
 | 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 M87 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1888.87937028; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M60 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.55857894; Eh |
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