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The potential energy surfaces of the desulfinylation of prop-2-enesulfinic acid (13) in CH2Cl2 solution at -15 degrees C have been explored by quantum calculations and analyzed with kinetic data obtained for the reaction in absence or presence of additives ...
Nuclear Magnetic Resonance (NMR) spectroscopy offers many ways to investigate dynamic properties of molecules. A wide variety of experimental techniques can probe molecular dynamics on time scales that range from 10-12 to 103 seconds. Many lines of evidenc ...
A novel method is presented for the rigorous propagation of uncertainties in initial concentrations and in dosing rates into the errors in the rate constants fitted by multivariate kinetic hard-modelling of spectroscopic data using the Newton–Gauss–Levenbe ...
In recent years, chemometric methods for the analysis of multivariate kinetic data have considerably progressed. Kinetic hard-modelling is one of these methods that is based on the rate law and used to determine the kinetic parameters (e.g. rate constants) ...
In the framework of rockfall trajectory modelling, the bouncing phenomenon occurring when a rock block impacts with the slope surface is the most difficult to predict, owing to its complexity and its very limited understanding. To date, the rebound is comm ...
The oxidation of iodide by synthetic birnessite (delta-MnO2) was studied in perchlorate media in the pH range 4-8. Iodine (I-2) was detected as an oxidation product that was subsequently further oxidized to iodate (IO3-). The third order rate constants, se ...
Recent results have shown that interference alignment can achieve K/2 degrees of freedom in a K-user interference channel with time or frequency varying channel coefficients. For fixed number of users K, the number of degrees of freedom characterizes the a ...
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In solution-state NMR spectroscopy, dynamic processes can be probed provided the nuclear relaxation rate constant does not exceed the rate constant of the process. Phenomena occurring on a time scale longer than the spin-lattice relaxation time constant, T ...
Understanding biogenic silica (bSi) dissolution kinetics in margin environments is important in assessing the global silicon cycle, a cycle closely linked to the global carbon cycle. This understanding is also essential to answer the question of whether bS ...
Coupling fast triplet-triplet energy transfer (TTET) between xanthone and naphthylalanine to the helix-coil equilibrium in alanine-based peptides allowed the observation of local equilibrium fluctuations in alpha-helices on the nanoseconds to microseconds ...
