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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n3-i1add-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-1338.52483781; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n3-ts2-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2213.88209412; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n3-ts2-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2213.90651920; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-ts2-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2573.36326995; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-ts2-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2135.30191979; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-ts2-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2347.21505169; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-ts2-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2573.36099353; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-ts1-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-1631.29828607; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-i4-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2573.36240640; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-ts2-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2573.33985729; Eh
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