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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M27Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.59935172; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M32Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.60846362; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M35Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3879.05241184; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M36Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2210.84518056; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M87Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1921.46409141; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M78Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-2002.83226469; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 pyridineFoscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGEN-248.093066416; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M19Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3957.60904296; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M25Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.60432370; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M79Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2058.52462618; Eh
Results 21-30 of 462 (Search time: 0.002 seconds).