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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg3-Oct-2019TS_56f_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--2785.22952927; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A4PA5P_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-4020.16108755; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A53AA_ENDO_AArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--1530.99199300; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ B6PA7P_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-3011.66256173; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ C60Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYP--2286.42777924; Eh
thumbnail.jpeg24-Jun-2020o-E-TS4Sangita, KachhapGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYPDEF2TZVP-1092.2443926; Eh
thumbnail.jpeg13-Sep-2021da_c60_TS-56Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-2481.1412569; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ PRODUCT_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-2441.21764099; Eh
thumbnail.jpeg3-Oct-2019TS_55_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--2785.22568918; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ WILKINSONArtigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization MinimumRB3LYPcc-pVDZ-3679.83632014; Eh
Results 21-30 of 447 (Search time: 0.028 seconds).