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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OH/Glycidol/Glycidol_3 Glycidol_3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--268.402127800; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OH/Glycidol/Glycidol_3/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--268.431521184; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/TMS/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--449.282967232; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/TMS/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--449.282967232; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OH/Glycidol/Glycidol_2 Glycidol_2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--268.401087096; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OH/IC/IC_2/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--1838.97000151; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OMe/IC_Me/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--1878.27213560; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OMe/Glycidol_Me/Glycidol_2/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--307.740024252; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OMe/Glycidol_Me/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--307.741242528; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OH/IC/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--1838.96971061; Eh
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