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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-i2-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1631.29783098; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-ts1-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-1405.17002810; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n3-ts1-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-1338.50337167; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine sa-cf3-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-942.010492335; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-ts1-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-1405.16858324; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-ts2-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2347.19805434; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-i5-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1405.20815729; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-i2-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1405.17618707; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-i3-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1631.34654563; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-i4-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-2347.23932456; Eh
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