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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-2868.25242028; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/Insertion/Scan ScanGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-31G*-3167.21444498; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/RO/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2983.05748402; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/IC_p IC_pGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-3178.72790573; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_I/RO/Int1/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-2979.57991846; Eh
thumbnail.jpeg17-Oct-2016/Cyclic_Carbonate/TS_CC TS_CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1689.36701892; Eh
thumbnail.jpeg17-Oct-2016/Initiation_Insertion/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1500.82494677; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--11.4927518707; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Me_Cl/Poly/Int_p/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRB97D36-311G**-3481.45762605; 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
Results 1-10 of 1145 (Search time: 0.003 seconds).