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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M88Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumUHF; UPBEPBEGENECP GEN-1132.4599435; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M27Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2398976; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M25Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2509999; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M32Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2773338; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M33Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.252413; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M29Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2709204; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M30Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2736646; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M26Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUHF; UwB97XDGENECP GEN-3959.2549317; Eh
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