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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg18-Mar-2019Adduct_formanilide_ONArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2006.40091564; Eh
thumbnail.jpeg18-Mar-2019Methyl_iPrPhenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-582.269442207; Eh
thumbnail.jpeg18-Mar-2019Adduct_Methyl_iPrPhenolArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2187.97562134; Eh
thumbnail.jpeg18-Mar-2019Adduct_formanilide_NOArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2006.39697050; Eh
thumbnail.jpeg18-Mar-2019Adduct_urea_ONArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1830.87583648; Eh
thumbnail.jpeg18-Mar-2019Methyl_tBuPhenolArtus Suarez, LluisGaussian; 09; ES64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-660.828368903; Eh
thumbnail.jpeg18-Mar-2019Methyl_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-439.990828453; Eh
thumbnail.jpeg18-Mar-2019Fe_(PNP)Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-1605.65355412; Eh
thumbnail.jpeg18-Mar-2019Deprotonation_ax_with_formanilideArtus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-802.799014198; Eh
thumbnail.jpeg18-Mar-2019Adduct_triphenylguanidine_2Artus Suarez, LluisGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31+G**-2503.60792561; Eh
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