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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Feb-2016Scan2b2-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-311G*-1998.40728345; Eh
thumbnail.jpeg29-Feb-2016Scan3b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-31G*-3792.32560302; Eh
thumbnail.jpeg29-Feb-2016TS3b-trans-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-3793.33316221; Eh
thumbnail.jpeg29-Feb-2016TS3b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-3793.33141503; Eh
thumbnail.jpeg29-Feb-2016TS1a-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-1808.12989145; Eh
thumbnail.jpeg29-Jan-2016M3(Freq)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.12311564; Eh
thumbnail.jpeg31-Jul-2015/Aniline/Catalyzed/TBD/Final_Product Final-ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--669.107612504; Eh
thumbnail.jpeg29-Jan-2016TS5(Freq)Serapian, StefanoGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRPBEPBE6-311G(d,p); LANL2DZ-5146.11839579; Eh
thumbnail.jpeg29-Feb-2016TSa-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-1998.45498491; Eh
thumbnail.jpeg29-Feb-2016Scan2a2-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization Structure-6-311G*-1998.40130362; Eh
Results 1-10 of 87 (Search time: 0.002 seconds).