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Entanglement between the other molecules was assumed by a repulsive interaction between the chain and randomly located entanglement points.
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Since the first-principles calculations revealed significant vacancy vacancy repulsion, we investigate the importance of that effect by conducting simulations with and without a repulsive interaction.
Chloride binding is stabilized most by the L-CH conformation, which avoids a repulsive interaction with the pyridyl lone pair and allows for formation of an opportunistic C H aryl hydrogen bond.
The substrate has a repulsive interaction with water given by |b s| = 46 kJ/mol (hydrophobic character).
McConnell and his collaborators have proposed a model that explains those experimental observations by the formation of SM-Chol condensed complexes, which have a repulsive interaction with POPC (4, 13, 30, 66).
The virtual annihilation term is a "repulsive" interaction that increases the energy of the system by a small amount, particularly for coupling values around (0.1le alpha le 0.4).
The interaction parameter obtained through Frumkin fit corresponds to a repulsive interaction.
This is true if there is a repulsive interaction between the silicate particles in water.
By contrast, the doubly charged state shows a reduced rate of folding and a ϕ-value near 0.5 indicative of a repulsive interaction, and possibly also heterogeneity in the transition state ensemble.
Here we see a repulsive interaction which repels the spots away from each other if they approach too closely.
Proximal planar conformations, with χ=180°, are not stabilised, presumably because of a repulsive interaction between the O and F atoms.
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