Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2021 | /GeomOpt_wB97XD M40 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1963.5083401; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M14 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2493957; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M15 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.235414; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M17 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.258966; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M18 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2659871; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M16 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.279929; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M19 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2187602; Eh | |||
 | 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 M13 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2259243; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M10 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2264985; Eh |
Results 31-40 of 47 (Search time: 0.001 seconds).