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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-c8-c9-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2007.86267805; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-c4-c10Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1471.83598438; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations c9-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-2007.90866609; 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 c8Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1779.14939595; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-c7-c9Funes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1930.76029568; 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 AllylacetateFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-345.910038240; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations H2OFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-76.4671065915; Eh
thumbnail.jpeg13-Jul-2018/B3LYPD3_calculations TS-3-OAcFunes-Ardoiz, IgnacioGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311++G**-1737.98290065; Eh
Results 31-40 of 333 (Search time: 0.001 seconds).