Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M21 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.53350157; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M86 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1810.37394001; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M25 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.91898058; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M44 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.52343619; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M31 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2057.28185315; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M47 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.94023946; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M76 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2519.05111851; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M77 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2542.25295384; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M79 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2542.25596731; Eh | |||
 | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M29 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2001.98242373; Eh |
Results 161-170 of 182 (Search time: 0.002 seconds).
Discover
Calculation type
Method
- 85 RHF