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Four methods for deriving partial atomic charges from the quantum chemical electrostatic potential (CHELP, CHELPG, Merz-Kollman, and RESP) have been compared and critically evaluated. It is shown the charges strongly depend on how and where the potential points are selected. Two alternative methods are suggested to avoid the arbitrariness in the point-selection schemes and van der Waals exclusion
This study investigates grain-size sorting through longshore transport processes and how it influences dune evolution.The analysis is based on a data set of 58 sediment samples distributed alongshore over a 6.5-km-long sandy beach in Ängelholm, Sweden. Grain size differs significantly from north to south, where median grain size varies from about 0.4–0.15 mm. The long-term coastal evolution is der
The present work constitutes a detailed study of neutral-current (NC) supernova-neutrino scattering off the stable even-even lead isotopes Pb204,206,208. This is a continuation of our previous work [Almosly et al., Phys. Rev. C. 94, 044614 (2016)10.1103/PhysRevC.94.044614] where we investigated charged-current processes on the same nuclei. As in the previous work, we have adopted the quasiparticle
The latest Swiss standard SIA181 (6-2006 edition [1]) introduces a new methodology regarding the tests to be performed in new constructions for assessing noise induced by the manipulation of service equipment in bathrooms and kitchens. However, this method has been developed especially for massive constructions. In this study, we are investigating the relevance of such method for timber frame buil
Structure-borne sound attenuation of lightweight timber floor structures has been investigated by high-resolution numerical calculation methods. Two models have been studied both experimentally and numerically. The first considers a continuous chipboard plate and a supporting beam. The second considers two plates that are fastened on one beam. Damping effects, which arise from the two different di
BACKGROUND: We investigated differences in clinical presentation, microbiology, and short- and long-term results according to the affected valve in patients who underwent surgery for left-sided native valve infective endocarditis (IE).METHODS: This was a single-center retrospective study of 117 patients with isolated mitral valve IE (group M) and 140 patients with isolated aortic valve IE (group
62 former patients, who had been treated at our department for tibial shaft fracture (n 38) or knee ligament injury (n 24) 15-38 years earlier, were re-evaluated for post-traumatic osteopenia. 62 age- and sex-matched subjects without fracture served as controls. By means of a Lunar DEXA apparatus we measured the bone mineral density (BMD) in the total body, the hips and special regions of interest
Scaling attosecond sources to higher pulse energy and/or repetition rate can benefit many applications. We present a scaling framework for nonlinear light-matter interactions, applicable to attosecond pulse generation and other nonlinear phenomena as e.g. filamentation.
This paper focuses on the event-based distributed robust leaderless synchronization control for multiple Euler-Lagrange systems with directed communication topology that contains a directed spanning tree. Update frequency of the system is reduced by taking advantages of the event-triggered approach, which can help extend the service life of the controller. Robust control theory is employed to guar
Many highly developed Monte Carlo tools for the evaluation of cross sections based on tree matrix elements exist and are used by experimental collaborations in high energy physics. As the evaluation of one-loop matrix elements has recently been undergoing enormous progress, the combination of one-loop matrix elements with existing Monte Carlo tools is on the horizon. This would lead to phenomenolo
Electrocardiographic (ECG) criteria for the diagnosis of inferior myocardial infarction (IMI) have high specificity but low sensitivity. Vectorcardiographic IMI criteria attain higher sensitivity without sacrificing specificity. One approach to improving ECG interpretation is to synthesize VCG loops from the 12-lead ECG. The performance of synthesized VCG (SVCG) was assessed, using the Frank VCG c
Various applications of the mean field theory (MFT) technique for obtaining solutions close to optimal minima in feedback networks are reviewed. Using this method in the context of the Boltzmann machine gives rise to a fast deterministic learning algorithm with a performance comparable with that of the backpropagation algorithm (BP) in feature recognition applications. Since MFT learning is bidire
