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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M81 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1810.40488505; Eh | |||
![]() | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M82 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1810.40017613; Eh | |||
![]() | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M90 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1673.33386306; Eh | |||
![]() | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M89 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1673.33738864; Eh | |||
![]() | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2226.90698285; Eh | |||
![]() | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M4 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.56166748; Eh | |||
![]() | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M9 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.59000011; Eh | |||
![]() | 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 M17 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.60831692; Eh | |||
![]() | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M18 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.61246095; Eh |
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Subject
- 182 Metathesis
- 182 Olefin metathesis
Method
- 85 RHF