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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 M46 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.11053029; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M47 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3927.12185916; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M36 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GENECP GEN | -2211.79325426; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M37 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GENECP GEN | -2211.79204066; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD pyridine | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GEN | -248.2112174; 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 M40 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1963.5083401; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M21 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GENECP GEN | -3880.66169553; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M20 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -3880.67902321; Eh |
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