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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/Racemization/BnNH2 BnNH2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--326.892549497; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Scan1 Scan1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.270240836; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/Product_5 Product_5González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.932272340; Eh
thumbnail.jpeg1-Dec-2017/Racemization/From6RingTo5/No_Cat/Before BeforeGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.933533856; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/wB97XD/FC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311G**-1679.387593; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/wB97XD/FC FCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1679.36538643; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/wB97XD/CC/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--499.6520499; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/wB97XD/CC CCGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--499.641728548; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/wB97XD/Int2_l/SOLV SOLVGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD6-311G**-1690.9488795; Eh
thumbnail.jpeg30-Jan-2019/Gas_Opt/wB97XD/Int1 Int1González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD6-311G**-1502.30301043; Eh
Results 31-40 of 526 (Search time: 0.003 seconds).