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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1690.67350078; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1690.66618534; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D3--499.508153502; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/Int2_l Int2_lGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1690.67499021; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/TS_isom TS_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1690.66029422; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1690.66264055; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1490.53873075; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB97D36-311G**-1679.09433608; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB97D36-311G**-1502.11996175; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B97D3/Reactants/Iodide IodideGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB97D3--11.5872782953; Eh
Results 1-10 of 14 (Search time: 0.001 seconds).