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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M53Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.1196641; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M52Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3927.11406674; 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
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M12Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2336556; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M7Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDGEN-3959.23408203; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M74Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.46827031; Eh
Results 441-450 of 462 (Search time: 0.001 seconds).