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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 M6 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.211717; 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 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 M24 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UwB97XD | GEN | -3959.18581037; 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 |
Results 51-60 of 88 (Search time: 0.001 seconds).