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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 M11 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.59363655; Eh | |||
 | 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 | /GeomOpt_wB97XD M75 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -2251.09213378; Eh | |||
 | 17-Mar-2021 | /GeomOpt_wB97XD M88 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1922.2078013; 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 M2 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1978.77534849; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M10 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.59472954; Eh | |||
 | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M84 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2058.52461427; Eh | |||
 | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M88 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1921.45982688; Eh | |||
 | 17-Mar-2021 | /GeomOpt_wB97XD M77 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -2002.8302739; Eh |
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