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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
Login required8-Oct-2019/Racemization/TMA_Cat/M06_2X/TS1 TS1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G(D,P)-631.314708533; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/M06_2X/TS2 TS2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G(D,P)-631.315715080; Eh
Login required8-Oct-2019/Racemization/TMA_Cat/M06_2X/TMA TMAGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G(D,P)-174.431219736; Eh
Login required8-Oct-2019/Decarboxylation/M06_2X/GC GCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G(D,P)-456.902150062; Eh
Login required8-Oct-2019/Decarboxylation/M06_2X/TS/Before BeforeGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G(D,P)-456.902119692; Eh
Login required8-Oct-2019/Decarboxylation/M06_2X/TS/After AfterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X6-311G(D,P)-456.875749807; Eh
Login required8-Oct-2019/Decarboxylation/M06_2X/Int IntGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G(D,P)-456.777829265; Eh
Login required8-Oct-2019/Decarboxylation/M06_2X/TS TSGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X6-311G(D,P)-456.777838702; Eh
Results 61-68 of 68 (Search time: 0.001 seconds).