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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 M56 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12498647; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M57 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.11825091; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M40 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1963.5083401; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M38 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GENECP GEN | -1963.53738692; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M39 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -1963.53365107; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M17 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.258966; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M18 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2659871; 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 M1 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GENECP GEN | -2227.84761489; Eh | |||
 | 30-Sep-2021 | RhI-HCp | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -995.280038639; Eh |
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