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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 M22_triplet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UwB97XD | GEN | -3959.23456260; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M31_triplet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UwB97XD | GEN | -3959.26639139; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M35 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | GEN | -3880.68419829; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M29 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UHF; UwB97XD | GENECP GEN | -3959.2709204; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M28 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UwB97XD | GEN | -3959.28171426; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M32 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UHF; UwB97XD | GENECP GEN | -3959.2773338; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M33 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UHF; UwB97XD | GENECP GEN | -3959.252413; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M30 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UHF; UwB97XD | GENECP GEN | -3959.2736646; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M34 | Foscato, Marco | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | GEN | -3880.66372559; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M23 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | UwB97XD | GEN | -3959.27139621; Eh |
Results 1-10 of 14 (Search time: 0.001 seconds).