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PreviewTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetLinksEnergySolv.Vibr.Orb.
thumbnail.jpeg/M06-2X CatMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062XLanL2DZ; 6-311G**--1091.40667549; Eh
thumbnail.jpegm1García Muelas, RodrigoGaussian; 09; EM64L-G09RevA.02Single point StructureRB3LYP--
thumbnail.jpegM2(Freq)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.12307238; Eh
thumbnail.jpegM2(Opt)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5146.12307238; Eh
thumbnail.jpegM3(Freq)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.12311564; Eh
thumbnail.jpegM3(Opt)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5146.12311564; Eh
thumbnail.jpegM4(Freq)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.12293310; Eh
thumbnail.jpegM4(Opt)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5146.12293310; Eh
thumbnail.jpegM45-4+_in_P-1_(Freq)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5614.98023339; Eh
thumbnail.jpegM45-4+_in_P-1_(Opt)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5614.98023339; Eh
thumbnail.jpegM5(Freq)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.12189337; Eh
thumbnail.jpegM5(Opt)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5146.12189337; Eh
thumbnail.jpegM90-4+_in_P-1_(Freq)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5614.98353364; Eh
thumbnail.jpegM90-4+_in_P-1_(Opt)-Gaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRPBEPBE6-311G(d,p); LANL2DZ-5614.98353364; Eh
thumbnail.jpegMECP-Gaussian; 09; EM64L-G09RevD.01Geometry optimization StructureUPBEPBE6-31+G*; SDD-1198.48177757; Eh
thumbnail.jpegMECP1s-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLANL2DZ; 6-31G(d)-2194.48471558; Eh
thumbnail.jpegMECP1s-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLANL2DZ; 6-31G(d)-2233.80060063; Eh
thumbnail.jpegMECP1t-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-31G(d)-2194.48471880; Eh
thumbnail.jpegMECP1t-MeMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureUB3LYPLANL2DZ; 6-31G(d)-2233.80057246; Eh
thumbnail.jpegMECP2s-HMudarra, Ángel LuísGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLANL2DZ; 6-31G(d)-2194.48630451; Eh