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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 17-Mar-2021 | /GeomOpt_wB97XD M82 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1811.1435334; 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 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 M72 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0358841; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M70 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0459009; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M74 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0931922; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M73 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0026343; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M62 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0638878; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M61 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.08766; Eh |
Results 11-20 of 47 (Search time: 0.001 seconds).