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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/Int_1/PCM PCMGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-1502.73462728; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/TS1/PCM PCMGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization StructureRB3LYP6-311G**-1502.71569017; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/Int_1 Int_1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-1502.75710810; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311G**-1502.73921091; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/TS3 TS3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311G**-1691.38672781; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-1491.18847857; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-1679.85604858; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--499.814153210; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/Int2_l/PCM PCMGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-1691.38145616; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/B3LYP/Int2_l Int2_lGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311G**-1691.40463863; Eh
Results 1-10 of 107 (Search time: 0.002 seconds).