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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Feb-2016TS1b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-1808.12953430; Eh
thumbnail.jpeg29-Feb-2016TS2a2-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-1998.45695131; Eh
thumbnail.jpeg29-Feb-2016TS4b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-2652.71469286; Eh
thumbnail.jpeg29-Feb-2016Scan4b-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-31G*-2651.97964347; Eh
thumbnail.jpeg29-Feb-2016TS4a-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-2652.73477951; Eh
thumbnail.jpeg29-Feb-2016TS4a-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-2652.72410681; Eh
thumbnail.jpeg29-Jan-2016b-P-4+_Frequency_CalculationSerapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-880.739811516; Eh
thumbnail.jpeg29-Jan-2016TS3(Freq)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.12281564; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/TS2/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-2696.42954388; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/TS3/FAIL FAILGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-311G**-2696.42361005; Eh
Results 1-10 of 88 (Search time: 0.002 seconds).