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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Jul-2019CODMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G** GEN-312.015145030; Eh
thumbnail.jpeg17-Jul-2019NiCODMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-793.391945770; Eh
thumbnail.jpeg17-Jul-2019Post-TS2-adduct-monoMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XDLANL2DZ 6-311G** GEN-2017.82202830; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TSisoMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1269.50469352; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TS41Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1269.54048309; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TS42Mateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1269.52584924; 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 Int2-Ni-B2CsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.43109443; Eh
Login required21-Jun-2019/B2O4(C2H4)2 TS3C-OCsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYPLanL2DZ; 6-311G**-1289.40171757; Eh
Login required21-Jun-2019/B2O4(C2H4)2 Int3_Ni_B_OCsMateo, AnnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYPLanL2DZ; 6-311G**-1289.41307918; Eh
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