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 M74 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2352.51950784; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M83 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2352.52225614; Eh | |||
![]() | 15-Oct-2021 | /SP_M06L_GD3_CHCl3 M84 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | GEN | -2352.52054096; Eh | |||
![]() | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M42 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.52287215; Eh | |||
![]() | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M46 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.94715231; Eh | |||
![]() | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M49 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2057.31516667; Eh | |||
![]() | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M50 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2080.51370089; Eh | |||
![]() | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M66 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -1888.97536974; Eh | |||
![]() | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M72 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2350.67339173; Eh | |||
![]() | 15-Oct-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M70 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RPBEPBE | GENECP | -2542.25688048; Eh |
Results 61-70 of 189 (Search time: 0.001 seconds).
Discover
Subject
- 189 Metathesis
- 189 Olefin metathesis
Program name
- 189 Gaussian