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_M06L_GD3_CHCl3 M81 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2352.51620426; 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 M35 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.03297650; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M43 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2082.07678652; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M56 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.29041519; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M55 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.28838209; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M66 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.33037161; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M65 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -1890.32611745; Eh | ||||
15-Oct-2021 | /SP_M06L_GD3_CHCl3 M77 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GENECP | -2544.29935409; 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 |
Results 151-160 of 189 (Search time: 0.002 seconds).