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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M59Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.10584337; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M61Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-2082.10431765; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M63Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1890.32829239; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M78Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGENECP-2544.30039790; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M4Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-3959.1937626; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD ethyleneFoscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGEN-78.5608785; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M1Foscato, MarcoGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRwB97XDGENECP GEN-2227.84761489; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M2Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; RwB97XDGENECP GEN-1979.5865627; Eh
thumbnail.jpeg28-Feb-2021/GeomOpt_wB97XD M3Foscato, MarcoGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDGEN-3959.21819957; Eh
thumbnail.jpeg28-Feb-2021/SP_PBEPBE_GD3MBJ_CHCl3 M31_tripletFoscato, MarcoGaussian; 16; ES64L-G16RevC.01Single point StructureUPBEPBEGENECP-3957.59845748; Eh
Results 391-400 of 630 (Search time: 0.001 seconds).