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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--499.656947261; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/Cat CatGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1179.71369653; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Int_1 Int_1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1502.38481737; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/Epoxyhexane EpoxyhexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--311.044430760; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Reactants/CO2 CO2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--188.572293711; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Int2_l Int2_lGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1690.97506591; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/TS_isom TS_isomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G**-1690.95828039; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/Int2 Int2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1690.97207608; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G**-1502.36363016; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G**-1690.95801828; Eh
Results 11-20 of 526 (Search time: 0.002 seconds).