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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-ts1-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-1259.86265658; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-ts2-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-2135.27701800; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2WWPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-712.094296777; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-i5-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1259.93673831; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-i1add-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1631.33000554; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-i5-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1405.22351340; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n2-ts1-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D)-1259.88361140; Eh
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
Results 1-10 of 320 (Search time: 0.002 seconds).