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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OH/IC/Butanone ButanoneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--1838.32464845; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OMe/Glycidol_Me/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--307.612159216; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OMe/Glycidol_Me/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--307.612159216; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/TMS/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--449.197277534; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OMe/IC_Me/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--1877.62037738; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OMe/IC_Me/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--1877.62037738; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OH/Glycidol/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--268.318778191; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/TMS/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--449.197277534; Eh
thumbnail.jpeg1-Dec-2017/Racemization/Scan2/Prod ProdGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.399339169; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/HCarb2/H_Bond/Frozen/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.90453463; Eh
Results 41-50 of 447 (Search time: 0.001 seconds).