Browsing by Author González Fabra, Joan

Jump to: 0-9 A B C D E F G H I J K L M N O P Q R S T U V W X Y Z
or enter first few letters:  
Showing results 1326 to 1345 of 1735 < previous   next >
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
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/OH/Glycidol/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--268.434446522; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OH/Glycidol/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--268.406692065; 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/OH/IC/IC_3/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---1838.96697309; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OH/IC/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--1838.96971061; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OH/IC/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--1838.96971061; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OMe/Glycidol_Me/Glycidol_2 Glycidol_2González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--307.740024252; 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/Glycidol_3 Glycidol_3González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--307.742373416; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OMe/Glycidol_Me/Glycidol_3/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--307.742373390; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OMe/Glycidol_Me/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--307.741242528; 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/OMe/IC_Me/IC_Me_2/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRB3LYP--1878.31971964; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/BP86/OMe/IC_Me/IC_Me_3/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point Structure---1878.31821974; 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/IC_Me/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--1878.27213560; 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/TMS/Opt OptGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--449.282967232; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/NMR/wB97xD/OH/Glycidol/NMR NMRGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRwB97XD--268.318778191; Eh