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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/HCarb2/H_Bond H_BondGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.90452692; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/HCarb2/No_H No_HGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.90741120; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/HCarb2/H_Bond/Frozen FrozenGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.90171701; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/Product/Cyclohexane CyclohexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.921468358; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/Product/wB97xD wB97xDGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.932272340; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/CarbH_Eq/Restart RestartGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.89122380; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/HCarb/Gas GasGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.86658287; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/HCarb/Cyclohexane CyclohexaneGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.88457210; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/HCarb HCarbGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--2026.90049291; Eh
thumbnail.jpeg1-Dec-2017/NMR_IR/IR/wB97xD/HCarb/Free FreeGonzález Fabra, JoanGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRwB97XD--456.894721718; Eh
Results 51-60 of 447 (Search time: 0.002 seconds).