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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_M06L_GD3_CHCl3 M74 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2352.51950784; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M75 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2352.52431621; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M79 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GENECP | -2544.30234201; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M86 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1811.63176584; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M52 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.07250460; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M76 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GENECP | -2521.05095504; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M80 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GENECP | -2544.30356381; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M83 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2352.52225614; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M82 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2352.51546128; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M85 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2003.42503916; Eh |
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