Molecular Dynamics Study of the Effect of Electrostatic Interactions on the Biphenyl Structure in the Active NO3 Solvent
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چکیده
An analysis of the molecular dynamics ( D) of the biphenyl molecular complex in an acidic solution has been performed. The aim of this work is to study the influence of the electrostatic (Coulomb) forces on the dynamical and structural behavior of the biphenyl molecules interacting with the NO3 solvent. The temperature and energy characteristics and the phase transition of the biphenyl molecule point to the existence of a critical charge number for the NO3 acid particles that control the interaction process.
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تاریخ انتشار 2010