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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Feb-2017C_solventFernández, VíctorGaussian; 09; EM64L-G09RevA.02Single point StructureRM062X--1352.98288875; Eh
thumbnail.jpeg24-Jan-2019_Ru(bpy)3_+_doubletFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1580.5329033; 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 14Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2083.6668938; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 5Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2095.7309173; Eh
thumbnail.jpeg24-Jan-2019Aryl_radicalFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-439.7274623; Eh
thumbnail.jpeg24-Jan-20191-octeneFondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-314.5914494; Eh
thumbnail.jpeg9-Nov-2018/vacuum/complexes pcl3pdph3Besora, MariaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-31+g*; sdd-2193.13250564; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 7Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-2083.5317044; Eh
thumbnail.jpeg24-Jan-2019/Rearrangement-Deproton-Oxidation 6Fondevila, Adiran J. De AguirreGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2083.692716; Eh
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