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 M31_singlet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GEN | -3959.26639054; 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 M55 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12133064; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M41 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.1019228; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M42 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.11061176; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M10 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2264985; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M8 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2234251; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD ethylene | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GEN | -78.5608785; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M68 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0732724; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M69 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0560076; Eh |
Results 291-300 of 950 (Search time: 0.002 seconds).
Discover
Subject