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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M29Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.59889301; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M33Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.61080677; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M41Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.46012060; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M77Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2001.98565845; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M86Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1810.39830136; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M75Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-2251.09213378; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M83Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-2059.40646086; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M88Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1922.2078013; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 ethyleneFoscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-78.5080409231; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M6Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3957.58550215; Eh
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