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Accurate prediction
Basis sets
1
Complexation
1
Computational precision
1
Correlation coefficient
1
Couplings
1
DFT/B3LYP
1
Data sets
1
Equilibrium configuration
1
Equilibrium geometries
1
Fermi contact term
1
Molecular geometries
1
Norbornane
1
Normal coordinate
1
Numerical precision
1
Proton coupling
1
Protons
1
Second derivatives
1
Standard deviation
1
Three-membered rings
1
Vibrational contributions
1
Vicinal coupling constants
1
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1Materias: “...Vicinal coupling constants...”
JOUR