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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Reactants/Iodide/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--11.5658994; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Reactants/CO2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--188.6434599; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Int2_l/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1691.3791992; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1502.732974; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--11.4721100599; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Reactants/Cat/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1179.984843; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/TS1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1502.7178725; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Reactants/Epoxyhexane/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP--311.1398549; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TS3B-CMateo, AnnaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLanL2DZ; 6-311G**-1289.39148544; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/B3LYP/Int2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYP6-311G**-1691.3688454; Eh
Results 1-10 of 97 (Search time: 0.002 seconds).