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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg27-Feb-2018Br-R4Ni, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311++g**-209.111510495; Eh
thumbnail.jpeg27-Feb-2018B-OtBuNi, ShaofeiGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--487.128328138; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n4-i1add-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1631.31566586; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-i1add-gpSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1405.18482811; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine n1-i1add-mixSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-1405.19630715; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Int IntGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.397886704; Eh
thumbnail.jpeg11-Apr-2021/N_sulfonylguanidine cn-ptol-dcmSanchez Pladevall, BrunaGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D)-689.306315780; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/IC ICGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1490.80703657; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1679.41560825; Eh
thumbnail.jpeg30-Jan-2019/Solv_Opt/wB97XD/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--499.656947261; Eh
Results 121-130 of 1702 (Search time: 0.002 seconds).