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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 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 M19 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2187602; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M13 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3959.2259243; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M2 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1979.5865627; Eh | |||
 | 30-Sep-2021 | RhI-HCp_EMIM | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | LANL2DZ 6-31G(D,P) GENECP | -1339.82312061; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M22_singlet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GEN | -3959.23456147; 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 M64 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -3927.0859218; Eh |
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