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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 M29Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2001.4268661; 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
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M49Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2056.7756782; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M50Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.9419762; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M60Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.9866097; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M59Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.9825954; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M73Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2349.9693288; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M72Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2349.9939026; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M83Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2349.988647; Eh
Results 71-80 of 182 (Search time: 0.001 seconds).