Browsing by Author Mateo, Anna

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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required21-Jun-2019/B2O4(C2H4)2 AdductMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-812.003622612; Eh
Login required21-Jun-2019/B2O4(C2H4)2 After_TS2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1827.40096556; Eh
Login required21-Jun-2019/B2O4(C2H4)2 B2pin2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-508.161166289; Eh
Login required21-Jun-2019/B2O4(C2H4)2 CatMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-631.524752920; Eh
Login required21-Jun-2019/B2O4(C2H4)2 CsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ-19.7987647362; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Cs2CO3Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-303.749524729; Eh
Login required21-Jun-2019/B2O4(C2H4)2 CsBCO3Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-537.976513351; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int1-NiMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1015.39415308; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int1-Niiso2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1015.36798111; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int2-Ni-BMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1269.54295142; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int2-Ni-B2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1269.55678018; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int2-Ni-B2CsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.43109443; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int2-Ni-BCsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.42221503; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int2-Ni-OMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.37938943; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int3_Ni_B_CMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1269.55460524; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int3_Ni_B_CCsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.43315243; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int3_Ni_B_OCsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.41307918; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int3Ni_B_CCsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.45037701; Eh
Login required21-Jun-2019/B2O4(C2H4)2 PrevMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1015.34203034; Eh
Login required21-Jun-2019/B2O4(C2H4)2 ProdMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-657.867856224; Eh