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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 M57 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.47810857; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M22_singlet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GEN | -3959.23456147; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M22_triplet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UwB97XD | GEN | -3959.23456260; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M31_triplet | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.59845748; 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 M63 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.46170799; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M60 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.47028195; Eh | |||
 | 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M54 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3925.47633425; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M31_triplet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UwB97XD | GEN | -3959.26639139; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M31_singlet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GEN | -3959.26639054; Eh |
Results 61-70 of 97 (Search time: 0.001 seconds).