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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg21-Jul-2017Int2ade Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-904.790361246; Eh
thumbnail.jpeg26-Sep-2016/Silver AInt1Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1804.24310299; Eh
thumbnail.jpeg26-Sep-2016/Gold IInt2Besora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.98786028; Eh
thumbnail.jpeg19-Jul-2017/Hydrogen_substituent_(R=H) I11-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2194.52668736; Eh
thumbnail.jpeg19-Jul-2017/Methyl_substituent_(R=Me) I10-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ; 6-31G(d)-2233.83840575; Eh
thumbnail.jpeg26-Sep-2016/organic 2H2OBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d)-152.749167364; Eh
thumbnail.jpeg26-Sep-2016/Gold Adduct_A_goldBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.93004539; Eh
thumbnail.jpeg21-Jul-2017TS(4-7)jde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.17636347; Eh
thumbnail.jpeg21-Jul-2017Int5Lde Orbe, M. ElenaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM066-31G*; SDD-1214.20944147; Eh
thumbnail.jpeg26-Sep-2016/Gold Adduct_C_goldBesora, MariaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D6-31g(d); lanl2dz-1793.92618445; Eh
Results 31-40 of 2278 (Search time: 0.002 seconds).