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Explicit embedding methods combined with the complex polarization propagator (CPP) enable the modeling of spectroscopy for increasingly complex systems with a high density of states. We present the first derivation and implementation of the CPP in four- and exact-two-component (X2C) polarizable embedding (PE) frameworks. We denote the developed methods PE-4c-CPP and PE-X2C-CPP, respectively. We il
Background: Sexual harassment (SH) has been highlighted as an important determinant for mental health. The aims of this study were to describe SH in terms of cumulative 1-year incidence, exposed groups, types of perpetrators and settings, and to measure the association between SH and poor mental well-being. Methods: Data from two waves of the Scania Public Health Cohort Study, comprising 7759 rand
Historiskt sett är religionsfrihet ett radikalare koncept än de flesta svenskar inser. Nu höjs röster om att upphäva den. Riskerar vi en ny intolerans? Det menar Jacob Rudenstrand.
Denna övningsbok följer upplägget i faktaboken Redovisning – från bokföring till analys. Övningsboken innehåller ett stort antal övningar med fullständiga lösningsförslag. Lösningarna kompletteras med utförliga kommentarer och förklaringar.Redovisning är en process som omfattar allt från företagets transaktioner och omständigheter, till den analys och användning av företagets redovisningsinformati
Free-energy calculations are crucial for investigating biomolecular interactions. However, in theoretical studies, the neglect of electronic polarization can reduce predictive capabilities, specifically for free-energy calculations. To effectively mimick polarization, we explore a Charge Switching (CS) model, aiming to narrow the gap between computational and experimental results. The model requir
Kinetic modeling could be viewed as an important step in developing a bioprocess, since models can be used in process control, reducing costs and optimizing processes. In the present study, the application of kinetic models in dark fermentative hydrogen production has been investigated. A wide variety of kinetic models are addressed and compared regarding their accuracy to fit the data. This liter
Background: Sick leave due to stress-related mental ill health increases in society. In occupational therapy, occupational balance is considered important for experiencing health and well-being. Thus, knowledge regarding occupational balance and occupational value constitute essential parts of occupational therapists’ work with people suffering from occupational ill health. Objective: The aim of t
Diareno[a,e]cyclooctatetraenes find widespread applications as building blocks, ligands, and responsive cores in topologically switchable materials. However, current synthetic methods to these structures suffer from low yields or operational disadvantages. Here, we describe a practical three-step approach to diareno[a,e]cyclooctatetraenes using an efficient copper(I) catalyzed double decarboxylati
Quarantine hotels have been established by governments to accommodate COVID-19 infected or potentially infectious guests. The employees of these hotels, despite the high-risk environment, must provide services to guests. However, limited research is conducted on the impacts of the pandemic on their psychological well-being and health. This study investigates the protection motivation of quarantine
In this letter, we deal with evolutionary game-theoretic learning processes for population games on networks with dynamically evolving communities. Specifically, we propose a novel mathematical framework in which a deterministic, continuous-time replicator equation on a community network is coupled with a closed dynamic flow process between communities, in turn governed by an environmental feedbac
In this article, we propose a novel solution to detect multiple targets using a distributed multiple-input multiple-output (MIMO) radar under the so-called 'defocused transmit-defocused receive' operating mode. The proposed method employs a grid-based data matching algorithm, aiming to associate the target responses to potential target locations, solving the resulting data puzzle that evaluates th
The stability and activity of a model protein, lysozyme, in 1 : 2 choline chloride : glycerol was characterised across a wide range of protein concentrations, i.e., between 4 and 143 mg ml−1, where the protein is soluble and physically stable. Lysozyme folds into a globular conformation in this deep eutectic solvent like that in the native state, but with subtle variations in its internal structur
Cell-free massive multiple-input multiple-output (MIMO) consists of a large set of distributed access points (APs) serving a number of users. The APs can be far from each other, and they can also have a big number of antennas. Thus, decentralized architectures have to be considered so as to reduce the interconnection bandwidth to a central processing unit (CPU) and make the system scalable. On the
In this work, we describe a new Monte Carlo (MC) simulation method to investigate highly coupled fluids in confined geometries at a constant chemical potential. This method is based on so-called multi-scale Hamiltonian methods, wherein the chemical potential is determined using a more amenable Hamiltonian for a fluid in an "outer"region, which facilitates standard methods, such as grand canonical
Modelling has been a mainstay of conventional planning support tools (PSTs) since the 1960s and is instrumental in transport and land use planning decision-making. Numerous studies have been conducted to model the potential impacts of emerging vehicle automation and sharing technologies. A systematic review of recent modelling studies of autonomous and shared vehicles in the research literature ex
Distributed Acoustic Sensing (DAS) is a recent technology that acquires acoustic vibrations via fiber optics sensors. The utilization of such technique for near-surface geotechnical applications has great potential, especially for the characterization and verification of artificially stabilized ground. A popular procedure to stabilize the superficial ground (for example, for the preparation of inf
Musculoskeletal tissues are complex hierarchical materials where mechanical response is linked to structural and material properties at different dimensional levels. Therefore, high-resolution three-dimensional tomography is very useful for assessing tissue properties at different scales. In particular, Synchrotron Radiation micro-Computed Tomography (SR-microCT) has been used in several applicati
För att att minska städernas koldioxidutsläpp relaterat till val av byggmaterial, byggprocess samt energianvändningen i våra boenden skulle fler hus behöva byggas i trä, renovering i högre grad väljas i stället för rivning, husen skulle behöva göras mer energieffektiva och vi skulle behöva bo fler på mindre yta, menar Johanna Alkan Olsson, docent i miljövetenskap vid Lunds universitet och speciali
