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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M13Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.9107076; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M21Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.9697384; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M17Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.9436353; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M19Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4294636; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M18Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4289585; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M33Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Single point StructureRPBEPBEGEN-2079.91535337; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M28Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.401352; 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 M26Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4303169; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M40Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2056.7273954; Eh
Results 71-80 of 462 (Search time: 0.0 seconds).