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 M8 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2234251; Eh | ||||
28-Feb-2021 | /GeomOpt_wB97XD M5 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | GEN | -3959.21819834; Eh | ||||
28-Feb-2021 | /GeomOpt_wB97XD M6 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.211717; Eh | ||||
28-Feb-2021 | /GeomOpt_wB97XD M4 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.1937626; 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 M1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GENECP GEN | -2227.84761489; Eh | ||||
28-Feb-2021 | /GeomOpt_wB97XD M2 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1979.5865627; Eh | ||||
28-Feb-2021 | /GeomOpt_wB97XD M3 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RwB97XD | GEN | -3959.21819957; Eh |
Results 81-88 of 88 (Search time: 0.001 seconds).