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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M6Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.211717; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD ethyleneFoscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGEN-78.5608785; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M69Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.46936480; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M45Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.47677793; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M38Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1962.71750809; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M39Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-1962.71472031; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M59Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3927.0937069; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M55Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3927.12133064; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M57Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3927.11825091; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M56Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3927.12498647; Eh
Results 401-410 of 462 (Search time: 0.002 seconds).