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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 M37 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.89918688; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 trans-stilbene | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GEN | -540.260654224; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M14 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.92149150; Eh | |||
 | 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 M20 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2057.32666549; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M19 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.91794058; Eh | |||
 | 15-Oct-2021 | /GeomOpt_PBEPBE M36 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GEN | -1888.41255739; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M1 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GEN | -924.620247442; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M3 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GEN | -756.234215504; Eh |
Results 11-20 of 189 (Search time: 0.001 seconds).