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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x BenzanaldehydePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-345.453217531; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x HemiaminalPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-559.180059683; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x NButylaminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-213.710110806; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x IminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-482.766459664; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-31+G(D,P)-76.4034997987; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/m062x TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-31+G(D,P)-559.108836365; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Cat/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1179.3427483; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Reactants/Cat CatGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1179.32377137; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int2_l Int2_lGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G**-1690.43098369; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/M06_2X/Int2_l/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRM062X6-311G**-1690.4942457; Eh
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