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The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the co ...
The reversibility of hydrogen sorption in complex hydrides has only been shown unambiguously for NaAlH4 doped with transition metal compounds. Despite a multitude of investigations of the effect of the added catalyst on the hydrogen sorption kinetics of Na ...
Amer Inst Physics2014
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A detailed experimental-numerical study of large scale bridging during intralaminar fracture of AS4/PPS uniaxial thermoplastic composite is reported. Identification of bridging tractions is carried out using: (a) An inverse identification method based on q ...
Elsevier2016
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The mechanism of the capacity degradation of LaNi5-based alloy electrodes was investigated with a special focus on the influence of the alloy and surface composition, as well as the unique structure obtained by gas atomisation. The electrochemical properti ...
Elsevier Science Sa2015
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The primary H/D kinetic isotope effect on the intramolecular proton transfer in malonaldehyde is determined from quantum instanton path integral Monte Carlo simulations on a fully dimensional and validated potential energy surface for temperatures between ...
Royal Society of Chemistry2014
Chemical reactions are always associated with electronic structure changes of the involved chemical species. Determining the electronic configuration of an atom allows probing its chemical state and gives understanding of the reaction pathways. However, of ...
In this work, we present an infrared plasmonic biosensor for chemical-specific detection and monitoring of biomimetic lipid membranes in a label-free and real-time fashion. Lipid membranes constitute the primary biological interface mediating cell signalin ...
Herein, we combined classical molecular dynamics (MD) and quantum mechanical/molecular mechanics (QM/MM) simulations to unravel the whole catalytic cycle of fatty acid amide hydrolase (FAAH) in complex with anandamide, the main neurotransmitters involved i ...
Identification of traction separation relations is at the forefront of damage and fracture mechanics of composite laminates. Such relations are of particular interest in fracture of laminates consisting of layers of different fiber orientations. In this st ...
The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the co ...
