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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_C1A2Artigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYPcc-pVDZ-3674.19607774; Eh
thumbnail.jpeg3-Oct-2019/C60ACET/OPTFREQ C6A8_56Artigas, AlbertGaussian; 09; AM64L-G09RevD.01Geometry optimization TSRB3LYPcc-pVDZ-4048.13342533; Eh
Login required18-Jun-2019Calix5OMe_coroneneLledó, AgustíGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP--
Login required19-Feb-2019alledo12Lledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--
Login required2-Feb-2019alledo09Lledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--
Login required19-Feb-2019alledo13Lledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--
thumbnail.jpeg13-Sep-2021da_c60_TS-66Besalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-2481.162827; Eh
thumbnail.jpeg3-Oct-2019TS_66_CONCERTEDArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--2785.21244452; Eh
thumbnail.jpeg12-Jun-2019/OPTFREQ TS_A53AA_EXO_BArtigas, AlbertGaussian; 09; ES64L-G09RevE.01Geometry optimization TSRB3LYP--1530.98246498; Eh
Login required2-Feb-2019alledo03Lledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--
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