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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2021/Diels_Alder add-ma9-bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-960.599351905; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-ma9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-958.430160074; Eh
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 ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-379.407213788; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ma9-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-579.003444250; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-dma9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-999.920409470; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-dma9-ma-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-997.756855744; Eh
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