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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS8-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.83788472; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS2-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.80836891; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS4-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.80567986; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) TS9-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2233.84245870; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) I3-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2194.48563438; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) TS9-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2194.51875261; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) TS0-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSUB3LYPLANL2DZ; 6-31G(d)-2194.42329742; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) TS8-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2194.50885356; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) TS2-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2194.47621540; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) TS4-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLANL2DZ; 6-31G(d)-2194.48218140; Eh
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