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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1490.41004360; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Reactants/Epoxyhexane EpoxyhexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--310.992191173; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRM062X--11.5129824486; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/M06_2x/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--188.565876230; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/CC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X--499.594888; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1501.84763915; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1501.9059335; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1690.43456982; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.4938476; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1490.3829328; Eh
Results 11-20 of 68 (Search time: 0.002 seconds).