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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 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 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 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 M42 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.07413930; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M41 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.07711017; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M50 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.06688487; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M51 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.06838416; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M69 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GENECP | -2544.30207727; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M60 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.11225932; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M62 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.10560577; Eh |
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- 396 Metathesis
- 396 Olefin metathesis
- 120 Ruthenium
- 84 Carbene ligands
- 84 Ligand design
- 48 Chelates
- 48 Hafnium
- 48 Radiochemistry
- 48 Radiopharmaceuticals
- 48 Titanium
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