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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 15-Oct-2021 | /GeomOpt_PBEPBE M88 | Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R. | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UHF; UPBEPBE | GENECP GEN | -1132.4599435; 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 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 M25 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UHF; UwB97XD | GENECP GEN | -3959.2509999; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M26 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UHF; UwB97XD | GENECP GEN | -3959.2549317; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M27 | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UHF; UwB97XD | GENECP GEN | -3959.2398976; Eh |
Results 1-8 of 8 (Search time: 0.001 seconds).