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We characterize the photochemically relevant conical intersections between the lowest-lying accessible electronic excited states of the different DNA/RNA nucleobases using Cholesky decomposition-based complete active space self-consistent field (CASSCF) al ...
The organic Rankine cycle (ORC) system is among the technologies applied to exploit waste heat in vehicles. Since common organic fluids have lower latent heat than water, higher mass flow rates are required to convert the same waste heat, considerably incr ...
Machine learning frameworks based on correlations of interatomic positions begin with a discretized description of the density of other atoms in the neighborhood of each atom in the system. Symmetry considerations support the use of spherical harmonics to ...
This work presents the influence of splitters on the performance of small-scale turbopumps for organic Rankine cycle applications numerically. Different design parameters, such as impeller diameter at the outlet, number of blades, blade angle at the traili ...
We propose a new framework for homonuclear dipolar decoupling in solid-state NMR that provides a theoretical link between the FSLG, PMLG and DUMBO families. We show that through the use of a Legendre polynomial basis, the phase modulation of these decoupli ...
In the field of sustainability, scholars, and policy-makers herald the transformative power of participation in knowledge production. However, a discrepancy between these expectations and the limited understanding of the complex interactions constituting p ...
Nonnegative matrix factorization (NMF) can be computed efficiently under the separability assumption, which asserts that all the columns of the input data matrix belong to the convex cone generated by only a few of its columns. The provably most robust met ...
Isogeometric Analysis (IGA) is a computational methodology for the numerical approximation of Partial Differential Equations (PDEs). IGA is based on the isogeometric concept, for which the same basis functions, usually Non-Uniform Rational B-Splines (NURBS ...
In today's companies and organizations, databases are omnipresent. They are the means to represent and store information. Therefore, they must evolve whenever the information architecture (semantic and structure) changes. Databases are subject to evolution ...
Thin, phenylboronic acid-containing polymer coatings are potentially attractive sensory layers for a range of glucose monitoring systems. This contribution presents the synthesis and properties of glucose-sensitive polymer brushes obtained via surface RAFT ...
