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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M23Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2079.933247; 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 M38Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4102791; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M39Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4080916; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M46Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4118253; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M47Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-1888.4230438; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M58Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2056.7996117; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M68Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2541.4501743; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M69Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2541.478882; Eh
thumbnail.jpeg15-Oct-2021/GeomOpt_PBEPBE M76Occhipinti, Giovanni; Foscato, Marco; Jensen, Vidar R.Gaussian; 16; ES64L-G16RevB.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2518.2826605; Eh
Results 71-80 of 188 (Search time: 0.001 seconds).