Browsing by Subject Cavitands

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Showing results 1 to 4 of 4
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Sep-2019Calix5OMeLledó, AgustíGaussian; 09; ES64L-G09RevE.01Single point StructureRB3LYP--
thumbnail.jpeg13-Sep-2019Calix5OMe_coroneneLledó, AgustíGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP--
thumbnail.jpeg13-Sep-2019Calix5OMe_peryleneLledó, AgustíGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP--
thumbnail.jpeg25-May-2022Self-folding_cavitandlopez, ricardGaussian; 16; ES64L-G16RevA.03Single point Structure-6-31G(D)-4895.67205641; Eh