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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Feb-2022TpBr3CuN_s_v2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLANL2DZ 6-31G(D,P) GEN-1885.97907013; Eh
thumbnail.jpeg30-Sep-2021/Water/TS_water ch3ooh-f-ts_6311+GdMorán, LucíaGaussian; 16; AM64L-G16RevA.03Geometry optimization TSRB3LYP6-311+G(D)-290.901697975; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3ptf5singleteBesora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2340.73580107; Eh
thumbnail.jpeg24-Jan-2019Ni-cod2Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-793.6694311; Eh
thumbnail.jpeg24-Jan-2019_Ru(bpy)3_2+_singletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1580.4263952; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 13Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1769.0526315; Eh
thumbnail.jpeg17-Jan-2019/L2 1bFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-31+G*-1258.32095524; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 14Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2083.6668938; Eh
thumbnail.jpeg11-Feb-2022TpBr3CuN_s_v2_SPPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPDEF2TZVP DEF2QZVP GEN-26380.063254; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 5Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7309173; Eh
Results 21-30 of 6445 (Search time: 0.001 seconds).