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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M12 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.60354441; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M16 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.62121893; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M19 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.60904296; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M25 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.60432370; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M26 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.60694426; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M27 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.59935172; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M33 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.61080677; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M37 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2210.84445189; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M36 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2210.84518056; Eh | ||||
28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M42 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46486594; 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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