Browsing by Subject C-C coupling

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-615.810870096; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations 3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1509.30203560; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations 4Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1588.61959699; 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 7Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2752.01733165; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations alkyneFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-308.494717503; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations AllylacetateFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-345.910038240; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c1Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1817.80421985; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c10Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1471.84615333; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c2Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1817.31242439; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c3Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1589.08044526; 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 c4-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1700.58620775; 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 c5-O2-SFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1621.79357470; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c5-O2-S-HFunes-Ardoiz, Ignacio-Single point Structure---
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c5-O2-TFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYP6-311++G**-1621.77083293; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c6Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1622.27265526; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c6-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1851.00326084; Eh