Browsing by Author Mudarra, Ángel Luís

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpegMECP1s-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.48471558; Eh
thumbnail.jpegMECP1s-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.80060063; Eh
thumbnail.jpegMECP1t-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.48471880; Eh
thumbnail.jpegMECP1t-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2233.80057246; Eh
thumbnail.jpegMECP2s-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.48630451; Eh
thumbnail.jpegMECP2s-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.80620318; Eh
thumbnail.jpegMECP2t-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.48631374; Eh
thumbnail.jpegMECP2t-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2233.80620109; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) 3I0ad-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2233.75524633; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) 3I8-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2233.81776636; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I10-2-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.80814227; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I10-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.83840575; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I11-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.85204465; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I2-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.80860415; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I3-2-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.81690488; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I3-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.82212634; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I4-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.81265754; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I5-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.80654139; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I6-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.85204627; Eh
thumbnail.jpeg/Methyl_substituent_(R=Me) I7-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2233.85761942; Eh