Search        

Current filters:
Add filters:

Use filters to refine the search results.

Item hits:
PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/Carbonate_Water/HCarb_Water/Frozen FrozenGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--2103.91836151; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/Product/BP86 BP86González Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--457.083650403; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/TBD_CO2/Freq FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Single point StructureRBP86--627.455792855; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/HCarb HCarbGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--2027.46121012; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/TBDH_HCO3/Opt_Freq Opt_FreqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--704.104642814; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/CarbH_Eq CarbH_EqGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--2027.44955854; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/Carbonate_Water Carbonate_WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--2103.93757379; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/Product ProductGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--457.083650403; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/Carbonate CarbonateGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--2027.46224980; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/BP86/Linear_Carbonate_Water Linear_Carbonate_WaterGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRBP86--2103.94059534; Eh
Results 21-30 of 50 (Search time: 0.002 seconds).