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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-h9-bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-921.235504891; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ts-h9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRB3LYP6-311++G(D,P)-919.084304207; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ma9-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-579.005974965; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder h9-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-539.678029242; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-ma-b3lyp-bSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-919.115609111; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-dma9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-997.769678475; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-919.115609116; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-921.271336349; Eh
Results 21-30 of 132 (Search time: 0.001 seconds).