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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 M19 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.27653786; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M20 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2058.83446596; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M21 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.09000081; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M22 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.30790330; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M31 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2058.79545423; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M26 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.27692650; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M25 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.27723327; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M34 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.03246669; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M32 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.03456202; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M35 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.03297650; Eh |
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- 91 Metathesis
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- 91 Gaussian