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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M81Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1810.40488505; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M82Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1810.40017613; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M90Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1673.33386306; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M89Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1673.33738864; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M82Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1811.1435334; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M84Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-2059.3941219; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M85Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1811.1511517; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M1Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2226.90698285; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M4Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3957.56166748; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M9Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3957.59000011; Eh
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