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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 TS3CsB-CMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1289.41671489; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TS4CsB-OMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1289.42429991; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TS4CsO_BMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1289.42818600; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TS3B-CMateo, AnnaGaussian; 09; EM64L-G09RevD.01Single point StructureRB3LYPLanL2DZ; 6-311G**-1289.39148544; Eh
Login required21-Jun-2019/B2O4(C2H4)2 tetraB2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-657.867856224; Eh
Login required21-Jun-2019/B2O4(C2H4)2 ProdMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-657.867856224; Eh
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 Cs2CO3Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-303.749524729; Eh
Login required21-Jun-2019/B2O4(C2H4)2 pseudoprodMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-174.395483779; Eh
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