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Chemical shift
22
NMR
19
article
14
Chemical shifts
10
Magnetic Resonance Spectroscopy
10
Atoms
8
Substituent effects
8
nuclear magnetic resonance spectroscopy
8
Magnetic shielding
6
Nuclear magnetic resonance spectroscopy
6
comparative study
6
13C NMR
4
19F NMR
4
19F chemical shifts
4
Atomic numbers
4
Basis sets
4
Bromine
4
Chemical compounds
4
Chlorine
4
Computer simulation
4
Computing Methodologies
4
Conformations
4
Coulomb potential
4
DFT-GIAO
4
DFT-NBO
4
Density functional theory
4
Electric fields
4
Exchange-correlations
4
Experimental data
4
Functionals
4
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2Materias: “...13C chemical shift measurement...”
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3Publicado 2000Materias: “...Chemical-shift tensors...”
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4The role of explicit solvent molecules in the calculation of NMR chemical shifts of glycine in waterPublicado 2018Materias: “...Chemical shift...”
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5
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6The role of explicit solvent molecules in the calculation of NMR chemical shifts of glycine in waterMaterias: “...Chemical shift...”
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7Materias: “...19F chemical shift theory...”
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8por Gribble, G.W., Keavy, D.J., Olson, E.R., Rae, I.D., Staffa, A., Herr, T.E., Ferraro, M.B., Contreras, R.H.Materias: “...19F chemical shift theory...”
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10por Vitale, A.A., Stahl, A.E., Cecilia dos Santos Claro, P., Alejandra Floridia Addato, M., Pis Diez, R., Jubert, A.H.Materias: “...Methoxy chemical shifts...”
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11Materias: “...Chemical shift tensors...”
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12Materias: “...Chemical shift tensors...”
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13Publicado 2017Materias: “...Chemical shift...”
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14Materias: “...Chemical shift...”
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15por Kowalewski, Valdemar J., Botek, Edith Lilián, Contreras, Rubén Horacio, Facelli, Julio CésarMaterias: “...13c chemical shifts...”
Publicado 1997
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16Materias: “...17O NMR chemical shifts...”
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17Publicado 1997Materias: “...1H chemical shifts...”
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18Materias: “...13c chemical shifts...”
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19Materias: “...1H chemical shifts...”
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20Materias: “...17O NMR chemical shifts...”
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