The reaction volume for the equilibrium between the lanthanide(III) ennea- and octaaqua ions as a diagnostic aid for their water-exchange mechanisms
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Extent-based kinetic identification is a modeling technique that uses number of moles / concentrations measurements to compute extents and identify reaction kinetics (partial orders of reactions and reaction rate constant) by the integral method of paramet ...
Monitoring, control and optimization of chemical reaction systems often requires in-depth analysis of the underlying reaction mechanisms. This dissertation investigates appropriate tools that facilitate the analysis of homogeneous and gas-liquid reaction s ...
This thesis is devoted to the study of oxygen reduction reaction catalysed by porphyrins at the interface between two immiscible electrolyte solutions (ITIES). Electrochemical and spectrophotometric techniques are introduced to these interfaces in order to ...
The protein farnesyltransferase (FTase) is a Zn2+-metalloenzyme that catalyzes the farnesylation reaction, i.e., the transfer of the 15-carbon atom farnesyl group from farnesyl diphosphate (FPP) to a specific cysteine of protein substrates. Oncogenic Ras p ...
The electron self-exchange reaction CrCl(OH2)5(2+) + Cr(OH2)6(2+) -> Cr(OH2)(6)(2+) + CrCl(OH2)(5)(2+), proceeding via the inner-sphere pathway, was investigated with quantum-chemical methods. Geometry and vibrational frequencies of the precursor/successor ...
Water exchange kinetics of [Ln(L)(H2O)2]x complexes (Ln = Pr, Nd, Dy, Tm, and Yb; L = DO3A and DTTA–Me) were studied by 17O NMR spectroscopy as a function of temperature, pressure, and frequency and by 1H nuclear magnetic relaxation dispersion. Water excha ...
The generation of α-ferrocenyl carbocations from ferrocenyl alcohols for SN1 substitution at the water–organic solvent interface is initiated by the transfer of protons into the organic phase. The proton flux, and hence the reaction rate, can be controlled ...
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Although electron transfer reactions at liquid liquid interfaces have been thoroughly studied in the presence of deliberately added potential determining ions or phase transfer catalysts, little is known about these reactions in the absence of the above sp ...
A software tool for the simulation of one-dimensional unsaturated flow and solute transport together with biogeochemical reactions in the vadose zone was developed by integrating a numerical solution of Richards' equation into the geochemical modelling fra ...