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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg31-Jul-2015/CCSD_T/Butylamine/Water_Catalyzed/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRCCSD--744.197399010; Eh
thumbnail.jpeg31-Jul-2015/CCSD_T/Butylamine/Water_Catalyzed/AD ADGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRCCSD--744.181385474; Eh
thumbnail.jpeg31-Jul-2015/CCSD_T/Butylamine/Reactants/Butylamine Bu-AmineGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRCCSD--212.382774065; Eh
thumbnail.jpeg31-Jul-2015/CCSD_T/Butylamine/Reactants/Carbonate CarbonateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRCCSD--379.678855831; Eh
thumbnail.jpeg31-Jul-2015/CCSD_T/Butylamine/Reactants/TBD TBDGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRCCSD--436.106369903; Eh
thumbnail.jpeg31-Jul-2015/CCSD_T/Butylamine/Reactants/Water WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRCCSD--76.0536579580; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/TBD/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--1034.03162584; Eh
thumbnail.jpeg31-Jul-2015/Butylamine/Catalyzed/Water/2_Water/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Minimum---0.472991347417; Eh
thumbnail.jpeg29-Feb-2016TSa-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1998.50845453; Eh
thumbnail.jpeg29-Feb-2016RCa-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1998.53405302; Eh
Results 1-10 of 1735 (Search time: 0.002 seconds).