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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M88Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1921.45982688; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M87Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-1922.25408449; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M8Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3957.59412747; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M14Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3957.61088103; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M37Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2210.84445189; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M78Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2001.98512090; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M83Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2058.52764434; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M85Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1810.40487234; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M77Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-2002.8302739; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M90Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1673.9787324; Eh
Results 31-40 of 462 (Search time: 0.002 seconds).