Browsing by Subject External electric-field catalysis

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Showing results 21 to 24 of 24 < previous 
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Sep-2021methoxyethene-exo-p-RBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-573.1413043; Eh
thumbnail.jpeg13-Sep-2021methoxyethene-exo-p-TSBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-573.1075409; Eh
thumbnail.jpeg13-Sep-2021methoxyethene-exo-RBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-573.1392053; Eh
thumbnail.jpeg13-Sep-2021methoxyethene-exo-TSBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-573.1075954; Eh