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Words related to solvation

a chemical process in which solvent molecules and molecules or ions of the solute combine to form a compound

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This decomposition is only for the contribution of molecular mechanics and solvation energy, does not include the contribution of entropy.
In addition, an increase in temperature may also cause an increase in the number of ions in solution if ion formation and/or solvation were temperature dependent.
Essential hydrogen atoms, Kollman united atom type charges and solvation parameters were added to the receptor using AutoDock tools provided by the server.
HR] is the solvation membranes rejection potential energy; [U.
Solvents, especially acetone or alcohols, have been widely used in the preparation process of polymer-based nanocomposites such as the preparation of nanoparticles and solvation of polymers.
Structural thermodynamics of protein preferential solvation: osmolyte solvation of proteins, aminoacids, and peptides.
On the other hand better solvation of the Cu2+-ligand (1) complex by chloroform can be the reason for better extraction.
KFC2: a knowledge-based hot spot prediction method based on interface solvation, atomic density, and plasticity features.
We have shown (3) that a method using the classical AMBER03 molecular mechanics force field (4) with an implicit solvation model in combination with short molecular dynamics simulations in YASARA (5) can reproduce relative preference for human-like [alpha]2,6-linked versus avian-like [alpha]2,3-linked sialic acid receptors.
As it is well known [12], the carboxylic and naphthenic acids are important surface active substances (SASt) and petroleum fluid components, and for solvation of the oil and gas hydrocarbons they form insoluble salts with the divalent calcium ([Ca.
The preferential solvation parameters, that is, the difference between the local and bulk mole fractions of the solvents in solutions of some structurally related sulfonamides in 1,4-dioxane + water binary mixtures are derived from their thermodynamic properties by means of the inverse Kirkwood-Buff integrals method.
B-coefficient providesinformation concerning the solvation and their behavior on structure of the solvent in the near environment of the solute molecules.
A dense solvation layer surrounds the hydrophilic ion-pairs, creating an oil-in-water stabilization mechanism similar to the one observed in aqueous polyurethane dispersions (PUDs) containing neutralized pendant carboxylic groups (8).