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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg13-Sep-2021azo-endo-TSBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-1107.4503404; Eh
thumbnail.jpeg13-Sep-2021azo-endo-RBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-1107.4560725; Eh
thumbnail.jpeg13-Sep-2021azo-exo-TSBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-1107.4531655; Eh
thumbnail.jpeg13-Sep-2021azo-exo-RBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureRB3LYP6-311++G(2D,2P)-1107.4596666; Eh
thumbnail.jpeg15-Dec-2021Iq_mecpBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYP6-31G(D)-2488.8430956; Eh
thumbnail.jpeg15-Dec-2021TSII-III_pytacnBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYP6-31G(D)-2257.729197; Eh
thumbnail.jpeg15-Dec-2021TSII-III_mecpBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYP6-31G(D)-2488.8117661; Eh
thumbnail.jpeg15-Dec-2021TSIII-IV_mecpBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYP6-31G(D)-2488.8132247; Eh
thumbnail.jpeg15-Dec-2021IId_pytacnBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYP6-31G(D)-2257.7233877; Eh
thumbnail.jpeg15-Dec-2021IIId_mecpBesalú-Sala, PauGaussian; 16; ES64L-G16RevA.03Single point StructureUB3LYP6-31G(D)-2488.8132836; Eh
Results 21-30 of 352 (Search time: 0.0 seconds).