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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M58Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGEN-3927.12285660; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M21Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGENECP GEN-3880.66169553; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M14Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2493957; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M16Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.279929; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M15Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.235414; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M10Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.2264985; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M22_singletFoscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3957.60336914; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M22_tripletFoscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.59730616; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M73Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.46297641; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M60Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureRPBEPBEGENECP-3925.47028195; Eh
Results 411-420 of 462 (Search time: 0.001 seconds).