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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru9_10_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1749.8867332; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_23_H2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 03; EM64L-G03RevE.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1856.9523211; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_21_CH2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1816.4193081; 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_23_CH2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1895.0270653; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_23_PMe3_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1906.8037422; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru9_23_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 03; EM64L-G03RevE.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1859.1170805; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru9_22_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1717.830246; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_PBEPBE_GD3MBJ styreneFoscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-309.2718968; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_PBEPBE_GD3MBJ propeneFoscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; RPBEPBEGEN-117.7389006; Eh
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