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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 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 | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M59 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0937069; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M58 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12285660; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M49 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12602936; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M48 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12104022; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M47 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12185916; Eh |
Results 51-60 of 77 (Search time: 0.001 seconds).