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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c4-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1700.58620775; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-3reFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1509.26060772; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c5Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1471.38375990; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1471.86872617; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-c4-OAc-c5Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1700.55818722; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c5-O2-SFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1621.79357470; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations 5Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2904.39024100; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations 1Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1740.99750973; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations MECPFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1621.75006122; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1817.31242439; Eh
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