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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/QST3 QST3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-31G*-2868.27300162; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/Extra/Scans/Scan2/Tests 2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-31G*-2868.26391284; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2868.96548881; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Poly/TS_p_ TS_p_González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-3178.71847352; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_Cl/RO/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2683.95097062; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/Insertion/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2868.95321016; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_H_I/Insertion/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2696.43222356; Eh
thumbnail.jpeg17-Oct-2016/Dimer/Al_Cl_I/RO/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-2680.39220597; 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.jpeg1-Dec-2017/Racemization/TS_H/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD--2026.91332746; Eh
Results 31-40 of 126 (Search time: 0.002 seconds).