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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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_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_20_H2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1856.9667895; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru9_20_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1859.1350133; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru9_7_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1865.8770782; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_22_CH2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1753.7336404; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP Ru8_9_CH2O_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1517.822554; 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_7_PMe3_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-1913.5634208; Eh
thumbnail.jpeg6-Oct-2023/GeomOpt_OLYP_SP_B3LYP water_PR2Foscato, Marco; Giovanni, Occhipinti; Sondre H., Hopen Eliasson; Vidar R., JensenGaussian; 16; ES64L-G16RevC.01Geometry optimization MinimumRHF; ROLYP; RB3LYPLANL2MB LANL2DZ LANL2DZ/AUTO GENECP-76.452858; Eh
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