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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 M78 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -2002.83226469; Eh | |||
 | 17-Mar-2021 | /GeomOpt_wB97XD M86 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1811.1231596; Eh | |||
 | 17-Mar-2021 | /GeomOpt_wB97XD M87 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -1922.25408449; Eh | |||
 | 17-Mar-2021 | /GeomOpt_wB97XD M89 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RHF; RwB97XD | GENECP GEN | -1673.9949213; Eh | |||
 | 17-Mar-2021 | /GeomOpt_wB97XD M75 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD | GEN | -2251.09213378; Eh | |||
 | 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 M22_singlet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GEN | -3959.23456147; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M31_singlet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GEN | -3959.26639054; 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 |
Results 11-20 of 79 (Search time: 0.001 seconds).