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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 M64 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0859218; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M63 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0956468; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M66 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0715239; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M65 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0928277; 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 M59 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0937069; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M53 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.1196641; 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 M45 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0982144; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD pyridine | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GEN | -248.2112174; Eh |
Results 21-30 of 47 (Search time: 0.001 seconds).