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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 M47 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.47606417; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M44 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46047346; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M39 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1962.71472031; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M51 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.48129099; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M49 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.48420252; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M50 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.47998315; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M46 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46401574; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M43 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46922240; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M40 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1962.70012336; Eh |
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