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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2021 | /GeomOpt_wB97XD M12 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2336556; Eh | |||
| 28-Feb-2021 | /GeomOpt_wB97XD M53 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.1196641; Eh | |||
| 28-Feb-2021 | /GeomOpt_wB97XD M66 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0715239; Eh | |||
| 28-Feb-2021 | /GeomOpt_wB97XD M67 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.1139848; 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 M27 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UPBEPBE | GENECP | -3957.59935172; Eh | |||
| 28-Feb-2021 | /SP_PBEPBE_GD3MBJ_CHCl3 M5 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RPBEPBE | GENECP | -3957.61205015; Eh | |||
| 28-Feb-2021 | /GeomOpt_wB97XD M43 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.11676279; Eh | |||
| 28-Feb-2021 | /GeomOpt_wB97XD M39 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -1963.53365107; Eh | |||
| 28-Feb-2021 | /GeomOpt_wB97XD M27 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UHF; UwB97XD | GENECP GEN | -3959.2398976; Eh |
Results 1-10 of 186 (Search time: 0.001 seconds).