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A new method to accurately estimate the interaction energy between a large molecule and a smaller ligand is presented. The method approximates the electrostatic and induction contributions classically by multipole and polarizability expansions, but uses explicit quantum-mechanical fragment calculations for the remaining (nonclassical) contributions, mainly dispersion and exchange repulsion. Thu

This paper applies the GARCH-MIDAS (Mixed Data Sampling) model to examine whether information contained in macroeconomic variables can help to predict short-term and long-term components of the return variance. A principal component analysis is used to incorporate the information contained in various variables. Our results show that including low-frequency macroeconomic information in the GARCH-MI

Li insertion into a thin anatase TiO2 film is studied for the first time in an ultra-high vacuum (UHV) environment. Using synchrotron radiation photoelectron spectroscopy, we demonstrate that the evaporated Li is inserted into the anatase and that the maximum amount that can be dissolved is 0.41 Li/Ti. Two most important properties are found in the UHV insertion process that can be directly relate

Stability of systems in the presence of bounded uncertain time-varying delays in the feedback loop is studied. The delay parameter is assumed to be an unknown time-varying function for which the upper bounds on the magnitude and the variation are given. The stability problem is treated in the integral quadratic constraint (IQC) framework. Criteria for verifying robust stability are formulated as f

Popular Abstract in Swedish Kemiska ämnen finns överallt i vårat samhälle och behövs för att vi ska kunna leva som vi gör. Produktionen av kemiska ämnen använder kemiska processer som ofta är dyra och förbättringar av driftsätt kan spara mycket pengar. För att förbättra en process krävs att experiment utförs som oftast är väldigt kostsamma och tidskrävande. Ett sätt för att minska antalet experimeChemical processes are usually expensive to run. To optimise a process, we need to know how the process behaves, and this is usually accomplished by studying the process experimentally. However, experiments are very expensive, particularly if an existing plant has to shut down normal operation to conduct an experiment. A better way is to build a model and simulate the process. In order to obtain t

Utilities, such as steam and cooling water, are often shared between several production areas at industrial sites, and the effects of disturbances in utilities could thus be hard to predict. In addition, production areas could be connected because of the product flow at the site. This paper introduces a simple modeling approach for modeling the relation between utility operation and production. Us

There is an increased interest in and awareness of mould growth damage in buildings. Today’s mould growth models are limited to only presenting the risk of mould growth. They do not take into account underlying factors and other parameters that make it possible to establish necessary measures to limit or avoid the risk of mould growth. This paper presents a chart that can be used to determine thes

TINA is an open, object oriented, distributed telecom architecture, with many concepts taken directly from the latest computer research. In TINA, instances of the same object type can be placed on different physical nodes. Therefore, the network performance can be improved by introducing load balancing algorithms. These algorithms should distribute the traffic between the object instances in such

Pole placement is a well-established design method for linear control systems. Note however that with an output feedback controller of low-order such as the PID controller one cannot achieve arbitrary pole placement for a high-order or delay system, and then partially or hopefully, dominant pole placement becomes the only choice. To the best of the authors' knowledge, no method is available in the

Trots tydlig rättspraxis och en stark politisk vilja att säkra rätten för varje enskild eller företag som lidit skada vid brott mot EU:s konkurrensregler – i synnerhet artiklarna 101 och 102 Fördraget om Europeiska unionens funktionssätt (EUF) - att kunna söka kompensation, så har det konkurrensrättsliga skadeståndet inte fått något större genomslag. Europakommissionen (”Kommissionen”) har med andDespite the clear view of the European Commission (“the Commission”) and the European Court of Justice (“the ECJ”) that any citizen or business suffering harm following a breach of the EU competition rules - in particular Articles 101 and 102 of the Treaty of the Functioning of the European Market (TFEU) - should be able to obtain damages from the infringing party, to this date, damages have only

Prophylactic endovascular aneurysm repair (EVAR) of abdominal aortic aneurysm (AAA) aims to avoid aneurysm rupture. However, only patients with sufficient long-term survival get benefit from this avoidance. Therefore, accurate patient selection is crucial.The aim of the project is to evaluate new methods of assessing and minimizing the risks and thereby improve the selection of patient with the mo

The objective was to design a thin, flex card based personal dosemeter with low angular and energy dependence. It is based on silicon diodes that can measure the personal dose equivalent. Anisotropic conducting adhesive was used to connect the Si sensor to the flex card. Its intended use is for interventional radiology and after nuclear or radiological accidents, as it provides immediate detailed

The coronavirus disease 2019 (COVID-19) pandemic has challenged an array of democratic institutions in complex and unprecedented ways. Little academic work, however, has considered the pandemic’s impact on Canada’s courts. This article aims to partially fill that gap by exploring the Canadian court system’s response to COVID-19 and the prospects for administering justice amid disasters, all throug

Large-scale high-quality van der Waals CoPS3single crystals are synthesized using a chemical vapor transport (CVT) method. The crystallographic structure and electronic properties of this layered material are systematically studied using different spectroscopic methods (XPS, NEXAFS, and resonant photoelectron spectroscopy) accompanied by density functional theory (DFT) calculations. All experiment

Population ageing means that increasingly many are faced with the dual demands of paid work while providing unpaid care to older family members. Caregiving requires time and energy, with implications for paid work and well-being. The challenges faced by individuals add up and therefore also impact national economies. This dissertation provides insights into the implications of unpaid caregiving fo

The role of multiple groups of primary biological aerosol particles (PBAPs) as ice nucleating particles (INPs), and of ice formation processes such as time-dependent freezing of various INPs, and various secondary ice production(SIP) mechanisms in overall ice concentration has been evaluated in a range of cloud systems by simulating them numerically with the state-of-the-art ‘Aerosol-Cloud’ (AC) m