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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 M22_singlet | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.60336914; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M22_triplet | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.59730616; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M74 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46827031; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M72 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46060442; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M73 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46297641; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M69 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46936480; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M70 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.47013663; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M68 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.45917193; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M66 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46460662; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M67 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.47032093; Eh |
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