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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3477.83610538; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Product/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3477.89073195; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Scans/Scan2 Scan2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.94262806; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Scans/Scan2/Sum SumGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.93054392; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/Scans/Scan_isom Scan_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3177.93879761; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/TS_p TS_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3477.79884247; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Poly/TS_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3477.85550037; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CAT CATGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1179.50195175; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CAT/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-1179.51994782; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CHO CHOGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--309.725460839; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CHO/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--309.728908968; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--188.535124368; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/CO2/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--188.537154122; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/Dimer DimerGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2658.21873942; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/Dimer/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2658.23692326; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--11.4927518707; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Reactants/Iodide/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D3--11.5865849346; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2967.96626173; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/IC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2967.98391097; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-2979.52552732; Eh