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 M20 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3880.67902321; 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 M3 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | GEN | -3959.21819957; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M72 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0358841; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M70 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0459009; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M61 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.08766; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M60 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0750338; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M50 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12307125; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M51 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12298836; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M36 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GENECP GEN | -2211.79325426; Eh |
Results 21-30 of 77 (Search time: 0.001 seconds).
Discover
Method
- 47 RHF