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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M75Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2250.11329544; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M80Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-2059.3815718; Eh
thumbnail.jpeg17-Mar-2021/SP_PBEPBE_GD3MBJ_CHCl3 M76Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-2250.11062974; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M79Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-2059.3867576; Eh
thumbnail.jpeg17-Mar-2021/GeomOpt_wB97XD M81Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1811.1514108; Eh
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
Results 1-10 of 186 (Search time: 0.003 seconds).