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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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 Int2-Ni-B2Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1269.55678018; Eh
Login required21-Jun-2019/RealCat TS2b2pin22Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2368.31511282; 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/RealCat TS2b2nep2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-2289.63823558; Eh
Login required21-Jun-2019/RealCat cat_simpleMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-857.786295162; Eh
Login required21-Jun-2019/Pinacolato In1_NiBenzofuran2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.56033636; Eh
Login required21-Jun-2019/Pinacolato Prev2Mateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1015.37081629; Eh
Login required21-Jun-2019/RealCat Int-NiMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1713.61150515; Eh
Results 51-60 of 80 (Search time: 0.001 seconds).