Using simulation to study solvation in water
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چکیده
منابع مشابه
Using simulation to study solvation in water*
Simulations of simple solutes (charged and uncharged spheres) in model water have been performed in order to elucidate aspects of solvation in water at ambient and supercritical states. The variation of solvation entropy as a function of solute charge has been used to investigate hydrophobic and hydrophilic ordering and the structure-making and structurebreaking effects of ions. Simulations wit...
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ژورنال
عنوان ژورنال: Pure and Applied Chemistry
سال: 2001
ISSN: 1365-3075,0033-4545
DOI: 10.1351/pac200173111721