نتایج جستجو برای: ion pair formation
تعداد نتایج: 825012 فیلتر نتایج به سال:
The fundamental correlations between solubility and solvation structure for the electrolyte system comprising N-(ferrocenylmethyl)-N,N-dimethyl-N-ethylammonium bistrifluoromethylsulfonimide (Fc1N112-TFSI) dissolved in a ternary carbonate solvent mixture is analyzed using combined NMR relaxation and computational methods. Probing the evolution of the solvent−solvent, ion−solvent and ion−ion inte...
Metal cations represent key elements of RNA structure and function. In the Neurospora VS ribozyme, metal cations play diverse roles; they are important for substrate recognition, formation of the active site, and shifting the pKa's of two key nucleobases that contribute to the general acid-base mechanism. Recently, we determined the NMR structure of the A730 loop of the VS ribozyme active site ...
Conductivity plays vital role in drug diffusion. Thermodynamic parameters affected by substituents of drug. 1, 3, 5 –triazinothiocarbamide (1a) have been investigated using conductometrically carried out at different molar concentrations. This work highlights investigation G, K and µ values. The thermodynamic viz. ΔH, ΔS ∆G for ion pair formation determine from the value association constant. t...
Water exchange around a free magnesium ion and paired with carbonate in aqueous solution was studied using energy methods. Both rigid-ion polarizable force field based on the AMOEBA model were examined. The parameters adjusted to accurately reproduce hydration structures of solution. pairing energies calculated both fields found be excellent agreement experimental data. Metadynamics simulations...
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