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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M1Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-925.637231998; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M5Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2628.7250562; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M7Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2629.5328772; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M67Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2518.304176; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M27Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.8980353; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M54Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4171481; Eh
thumbnail.jpeg15-Oct-2021/SP_PBEPBE_GD3MBJ_CHCl3 M54Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGENECP-1888.93277957; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M7Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGENECP-2632.39194122; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M77Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2541.4043995; Eh
thumbnail.jpeg15-Oct-2021/SP_M06L_GD3_CHCl3 M9Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Single point StructureRM06LGEN-1980.18520976; Eh
Results 21-30 of 276 (Search time: 0.001 seconds).