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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg29-Feb-2016TS1b-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1808.13363121; Eh
thumbnail.jpeg29-Sep-2021Reactants_RVillar-Yanez, AlbaGaussian; 16; AM64L-G16RevA.03Geometry optimization MinimumRPBE1PBESDD SDD/DEF2TZV-2507.50044392; Eh
thumbnail.jpeg29-Feb-2016TS2a2-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D36-311G**-1998.45695131; Eh
thumbnail.jpeg29-Feb-2016LO-int2a1-cisGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1998.47148795; Eh
thumbnail.jpeg29-Feb-2016Int2a1-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1998.51745187; Eh
thumbnail.jpeg29-Feb-2016TS2a1-trans-solvGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1998.51543041; Eh
thumbnail.jpeg29-Feb-2016Int2a1-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1998.45945610; Eh
thumbnail.jpeg29-Feb-2016Scan2a1-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G*-1998.40004869; Eh
thumbnail.jpeg29-Feb-2016TS2a1-transGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1998.45908996; Eh
thumbnail.jpeg17-Jul-2019CODMateo, AnaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G** GEN-312.015145030; Eh
Results 41-50 of 3041 (Search time: 0.002 seconds).