A general approach to the electronic spin relaxation of Gd(III) complexes in solutions. Monte Carlo simulations beyond the Redfield limit
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In this paper we present a method for the numerical solution of elliptic problems with multi-scale data using multiple levels of not necessarily nested grids. The method consists in calculating successive corrections to the solution in patches whose discre ...
We performed variable temperature (0–100°C), concentration and frequency (9.425, 75, 150 and 225 GHz) continuous wave electron paramagnetic resonance (EPR) measurements on three different Gd(III) compounds: [Gd(H2O)8]3+, [Gd(DOTA)(H2O)]− (DOTA: 1,4,7,10-te ...
In this work, we address the numerical solution of some non-linear problems arising in the time discretization of fluid–structure interaction problems with fully implicit schemes. At each time step, we have to solve a highly non-linear coupled system, sinc ...
A numerical model is presented for the simulation of complex fluid flows with free surfaces in three space dimensions. The model described in Maronnier et al. (J. Comput. Phys. 1999; 155(2):439) is extended to three dimensional situations. The mathematical ...
Multiple experiments (17O NMR, 1H NMR, and EPR) have been performed in the past to understand the microscopic parameters that control the magnetic relaxation rate enhancement induced by paramagnetic molecules on neighboring water protons, the so-called rel ...
We discuss the numerical solution of the 3-D Maxwell's equations in general curvilinear coordinates using a multidomain pseudospectral (Chebyshev collocation) scheme. The formulation of the equations and the method as well as the multidomain patching proce ...
The comparison of numerical results for implicit-explicit and fully explicit Runge-Kutta time integration methods for a nozzle flow problem shows that filtering can significantly degrade the accuracy of the numerical solution for long-time integration prob ...
We investigate a GaAs/(Ga,Al)As Fabry-Perot microcavity, into which (In,Ga)As quantum wells have been inserted. The cavity is wedge shaped, i.e., the detuning between the bare-exciton resonance and the bare optical cavity mode depends on the spatial positi ...