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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 M75 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2250.11329544; Eh | |||
 | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M76 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2250.11062974; Eh | |||
 | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M80 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -2058.52225682; Eh | |||
 | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M85 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1810.40487234; Eh | |||
 | 17-Mar-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M90 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -1673.33386306; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 pyridine | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GEN | -248.093066416; Eh | |||
 | 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 | |||
 | 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 |
Results 1-10 of 79 (Search time: 0.001 seconds).