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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Oct-2019/Racemization/Al_Cat/Prod_Isom Prod_IsomGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G(D,P)-456.399339169; Eh
Login required8-Oct-2019/Racemization/Al_Cat/TS_H/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-311G(D,P)-2026.91332746; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2WPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-635.651926870; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2NPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-772.997156072; 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.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd BenzanaldehydePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-345.486797682; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd IminePérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-482.840876599; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd TS2Pérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRwB97XD6-31+G(D,P)-559.201735176; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd HemiaminalPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-559.267525846; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/wb97xd WaterPérez-Soto, RaúlGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-31+G(D,P)-76.4180817126; Eh
Results 821-830 of 1113 (Search time: 0.001 seconds).