Browsing by Author Mudarra, Ángel Luís

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PreviewTitleAuthor(s)ProgramMethod(s)Basis SetEnergySolv.Vibr.
thumbnail.jpeg/Hydrogen_substituent_(R=H) 3I0ad-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.42346857; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) 3I1-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.48580334; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) 3I8-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.49637548; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I10-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.50962439; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I11-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.52668736; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I12-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.57526589; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I2-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.49337919; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I3-2-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.48044599; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I3-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.48563438; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I4-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.48120589; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I5-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.48386748; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I6-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.52151746; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I7-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.52685376; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) I9-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.49814213; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) TS0-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.42329742; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) TS1-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01UB3LYPLANL2DZ; 6-31G(d)-2194.48395042; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) TS2-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.47621540; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) TS3-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.47820123; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) TS4-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.48218140; Eh
thumbnail.jpeg/Hydrogen_substituent_(R=H) TS5-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01RB3LYPLANL2DZ; 6-31G(d)-2194.48275227; Eh