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File formats are described in read_me files in the concerning folder. For plotting and data evaluation, Python 2.7 was used. Example scripts for plotting are provided. ...
Structure determination techniques are an essential tool to investigate and understand molecules, especially in biology, where functionality crucially depends on structure. The dominant high-resolution methods, such as transmission electron microscopy and ...
There is an uncountable number of different ways of characterizing almost any given real-world stimulus. This necessitates finding stimulus features that are perceptually relevant - that is, they have distinct and independent effects on the perception and ...
ELSEVIER2020
The activation of small molecule is a topic of high current interest. A variety of homogeneous end heterogeneous catalysts have been studied to be able to promote chemical transformation of industrial relevance under mild condition and therefore decrease t ...
EPFL2020
We introduce the elliptical Ornstein-Uhlenbeck (OU) process, which is a generalisation of the well-known univariate OU process to bivariate time series. This process maps out elliptical stochastic oscillations over time in the complex plane, which are obse ...
The modeling of non-covalent interactions, solvation effects, and chemical reactions in complex molecular environment is a challenging task. Current state-of-the-art approaches often rely on static computations using implicit solvent models and harmonic ap ...
At the prime 2, Behrens, Hill, Hopkins and Mahowald showed that M-2 (1, 4) admits a 32-periodic v(2)-self-map. More recently, in joint work with Mahowald, we showed that A(1) also admits a 32-periodic v(2)-self-map. This leads to the question of whether th ...
Chaotic dynamics in systems ranging from low-dimensional nonlinear differential equations to high-dimensional spatiotemporal systems including fluid turbulence is supported by nonchaotic, exactly recurring time-periodic solutions of the governing equations ...
2022
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We briefly summarize the kernel regression approach, as used recently in materials modelling, to fitting functions, particularly potential energy surfaces, and highlight how the linear algebra framework can be used to both predict and train from linear fun ...
Here we have explored the ability of Schiff bases to act as electron reservoirs and to enable the multi-electron reduction of small molecules by lanthanide complexes. We report the reductive chemistry of the Ln(iii) complexes of the tripodal heptadentate S ...
