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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-dma9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-997.731534465; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-dma9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-999.889152451; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-ma9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-958.416699756; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-h9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-919.068048460; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-dma9-bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-999.896263499; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-h9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-921.228006080; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-ma9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-960.559968747; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-ma9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-958.400660168; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-dma9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-997.746989298; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-ma9-bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-960.567286055; Eh
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