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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Initiation_Insertion/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1500.85161887; Eh
thumbnail.jpeg17-Oct-2016/Monometallic/TS_p_/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1999.20080559; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Reactants/CHO/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--309.728908968; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Reactants/Iodide/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--11.5865849346; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/RO/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2680.47981670; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Poly/Product/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3006.26477369; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Poly/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3006.20214293; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Poly/TS_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3006.23078843; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Reactants/CAT CATGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1093.25062415; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/RO/TS/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2507.93615875; Eh
Results 51-60 of 281 (Search time: 0.001 seconds).