Shallow and deep trap states of solvated electrons in methanol and their formation, electronic excitation, and relaxation dynamics
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We present a validation of a three-dimensional, two-fluid simulation of plasma turbulence in the TJ-K stellarator, a low temperature plasma experiment ideally suited for turbulence measurements. The simulation is carried out by the GBS code, recently adapt ...
With the advent of the Square Kilometre Array Observatory (SKAO), scientists will be able to directly observe the Epoch of Reionization by mapping the distribution of neutral hydrogen at different redshifts. While physically motivated results can be simula ...
Due to the local pulsating/transient nature and complex thermal-hydraulic coupling of a closed loop pulsating heat pipe (CLPHP), there is a need to develop an effective simulation code capable to design and predict the local and overall thermal performance ...
In the last years, it has been demonstrated a link between the overload of metal ions inside nervous system cells and the onset of severe neurodegenerative diseases. This prompted the investigation of the structural and functional properties of transporter ...
In the present study, biodegradable poly(amidoamine) dendrimers (PAMAM G1/G2/G3) was covalently functionalized with carbon nanotubes (CNTs) and nanostructured hydroxyapatite was immobilized onto CNTs-PAMAM matrix through coordination bond between the -NH2 ...
The climate and weather are modeled by running computer simulations. In a data-driven approach, scientists tailor the simulation to resemble reality (partly through an understanding of the physical processes, partly through their parameterization). With th ...
Understanding the link between the brain's anatomy and its function through computer
simulations of neural tissue models is a widely used approach in computational neuroscience.
This technique enables rapid prototyping and testing of hypotheses, allowing r ...
The structural, thermomechanical, and viscoelastic properties of metallosupramolecular polymers (MSPs) can be controlled through the choice of the multiligand monomer and the nature of the metal salt from which these materials are assembled. This versatili ...
AMER CHEMICAL SOC2020
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Alkylidene ketenes typically display high intrinsic reactivity, impeding isolation on a preparative scale. Herein, we report the synthesis of alkylidene ketenes by reaction of imidazole-based diazoolefins with carbon monoxide. The good thermal stability of ...
2021
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Most of our understanding of chemistry derives from atomic-level structures obtained with single-crystal X-ray diffraction. Metal centers in X-ray structures of small organometallic or coordination complexes are often extremely well-defined, with errors in ...