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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg20-Jul-20173I1-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2233.80191973; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) 3I0ad-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2233.75524633; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) 3I8-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2194.49637548; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) 3I0ad-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2194.42346857; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) 3I8-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2233.81776636; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) 3I1-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYPLANL2DZ; 6-31G(d)-2194.48580334; Eh
thumbnail.jpeg26-Jan-20172c+HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-992.958585360; Eh
thumbnail.jpeg26-Jan-20172a-2HFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-992.888570238; Eh
thumbnail.jpeg26-Jan-20172bFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-993.182776456; Eh
thumbnail.jpeg26-Jan-20172dFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumUB3LYP6-31+G*-1068.47036374; Eh
Results 1-10 of 278 (Search time: 0.002 seconds).