Sentence examples for electrostatic correlation from inspiring English sources

In the presence of high-valent counterions, the brushes which consist of polyampholyte chains with blocks of medium length, adopt a slightly stretched conformation owing to relatively strong electrostatic correlation between high-valent counterions and oppositely charged monomers.

Motivated by recent progress on the inclusion of ion-ion correlations through continuum models applied to mobile charge dynamics analysis, we present a modified Poisson Nernst Planck (mPNP) model to include both steric and electrostatic correlation effects on ion dynamics near charged parallel blocking electrodes.

Electrostatic correlations and fluctuations in ionic systems can be described within an extended Poisson Boltzmann theory using a Gaussian variational form.

Alternating current (ac) voltage simulations were carried out and show a meaningful effect of electrostatic correlations on mobile charge dynamics, especially for 2 1 electrolytes where ion-ion correlations are stronger near the electrodes.

With the help of numerical examples, we validate the accuracy of the numerical method and show that electrostatic correlations and fluctuations could lead to a large deviation from the classical Poisson Boltzmann equation with the increase of the coupling parameter.

Quantum mechanics, in principle, can provide both reactive and nonreactive potential energy surfaces, including electrostatics, electron correlation, polarization, and charge transfer.

Inspection of the distribution of bond distances between Bi and B site cations shows that Bi3+ atoms prefer to move toward Ni2+ neighbors and away from manganese cations, which is in agreement with expectations based on electrostatics, although correlations between these displacements are weak and short-range (see section S3 and Figure S1 in Supporting Information).

The exchange-correlation, electrostatic and kinetic contributions to the binding energy are delineated and their respective contributions are discussed.

Nevertheless, the observed correlation of electrostatic interaction with fibrillation propensity of tau40 might indicate plausible link between hyperphosphorylation at diseased state with tau conformation and self-assembly.

When ranked according to total electrostatic binding free energy, correlation with experiment improves (r2 of 0.72); this may be related to underestimated first solvation shell effects by the implicit water models.

Comparison of several thermophilic proteins indicate that there is a correlation between electrostatic interaction and the thermostability of proteins.