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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M8Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRPBEPBEGEN-2438.01956992; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M1Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGEN-924.2147475; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M2Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGEN-947.388422; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M15Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2056.7582285; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M14Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4045138; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M16Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.93731; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M24Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.9334553; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M25Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4302385; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M35Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.8597545; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M32Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGEN-2079.91480439; Eh
Results 51-60 of 182 (Search time: 0.002 seconds).