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Bond contributions
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Chemical bonds
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DFT
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Fermi contact
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Fluorine
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Heavy atom effect
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Hydrogen
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Hyperconjugative interactions
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Indirect spin-spin couplings
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Lone-pair effect
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Molecular dynamics
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NBO
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NMR
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Natural j couplings
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Nbo interactions
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Nuclear magnetic resonance
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Paraffins
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Proton-proton coupling constants
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Protons
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article
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1por Esteban, A.L., Galache, M.P., Mora, F., Díez, E., Casanueva, J., San Fabián, J., Barone, V., Peralta, J.E., Contreras, R.H.“... fluorine changes this through space term and, in addition, gives a direct contribution to 3JHH. © 2001...”
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2Solvent effects on oxygen-17 chemical shifts in methyl formate: Linear solvation shift relationshipspor De Kowalewski, D.G., Kowalewski, V.J., Contreras, R.H., Díez, E., Casanueva, J., San Fabián, J., Esteban, A.L., Galache, M.P.“..., −42.0, and 14.2 ppm. © 2001 Academic Press....”
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3“... for smaller compounds. © 2001 John Wiley & Sons, Inc. J Comput Chem....”
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4“... by the same three contributions that define the 1J(Z) and 1J(E) difference in 1. Copyright © 2001 John Wiley...”
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