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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2021/Diels_Alder add-h9-bq-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-921.264993146; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder bq-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-381.574007256; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder ma-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-379.418618912; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder dma9-mixmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-618.332779787; Eh
thumbnail.jpeg11-Apr-2021/Diels_Alder h9-mixbSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP6-311++G(D,P)-539.680537962; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-i3-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1405.19970031; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-i3-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1631.34780112; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-i5-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1631.36417346; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n3-i4-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-2213.92395353; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-i3-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1405.18788021; Eh
Results 31-40 of 132 (Search time: 0.001 seconds).