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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Oct-2023/GeomOpt_PBEPBE_GD3MBJ Ru20_11Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGENECP GEN-2135.4308435; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_7_CH2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1901.7861568; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_21_H2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1778.3456919; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_10_CH2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1785.7816118; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_19_H2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1558.3791267; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_20_PMe3_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1906.819186; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_22_H2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1715.662198; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru9_9_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1481.9188846; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_20_CH2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1895.0386051; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_19_PMe3_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1608.2330266; Eh
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