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We have examined how the self-interaction error in density-functional theory (DFT) calculations affects energies calculated on large systems (600-1000 atoms) involving several charged groups. We employ 18 different quantum mechanical (QM) methods, including Hartree-Fock, as well as pure, hybrid, and range-separated DFT methods. They are used to calculate reaction and activation energies for three

Conflicts often lead to expression of emotion to unrelated parties. We study non-instrumental verbal expression in binary ultimatum games, where receivers can comment either privately or to a third-party audience prior to accepting or rejecting the offer. The potential for gossip is sufficient to induce image concerns in senders, resulting in fairer offers in the audience treatment. Consequently,

Due to the increasing power requirement and the limited available space in vehicles, placing the heat exchanger at the roof or the underbody of vehicles might increase the possibility to handle the cooling requirement. A new configuration of the heat exchanger has to be developed to accommodate with the position change. In this paper, a countercurrent heat exchanger is developed for position on th

In Ref. [1], Spencer and Soldatos proposed an enhanced modelling approach for fibre-reinforced composites which accounts for the fibre-bending stiffness in addition to the directional dependency induced by the fibres. Although analytical solutions for simple geometries have been derived over the past years, often subject to specific assumptions such as small deformation kinematics, the application

Adult hematopoietic stem cells (HSCs) reside in bone marrow and are maintained in a dormant state within a special microenvironment, their so-called "niche". Detaching from the niche induces cell cycle progression, resulting in a reduction of the reconstitution capacity of HSCs. In contrast, fetal liver HSCs actively divide without losing their stem cell potentials. Thus, it has been unclear what

PurposeThe purpose of this paper is to advocate and contribute to a more nuanced and discerning argument when ascribing a democratic role to libraries and activities related to information literacy.Design/methodology/approachThe connections between democracy and libraries as well as between citizenship and information literacy are analysed by using Mouffe’s agonistic pluralism. One example is prov

Objective:: Our aim was to explore the presence of symptoms, symptom relief, and other key aspects of palliative care during the final week of life among older people residing in nursing homes. Method:: Our study employed data from the Swedish Palliative Care Register on all registered individuals aged 60 and older who had died in nursing homes during the years 2011 and 2012. Variables pertaining

Early detection and differential diagnosis of psychogenicnon-epileptic seizures (PNES) and epileptic seizures (ES) is a majorclinical issue in comprehensive epilepsy centers. Using blind conditionswith patients with PNES (N = 10) and ES (N = 31) before diagnosis,we tested the hypotheses that individuals with PNES would exhibitsignificantly greater dissociativity, hypnotizability, absorption, and h

Pervaporation with hydrophobic membranes has been widely recognised as a possible process to recover organic compounds from wasterwater. Compared to vacuum pervaporation, on which many researchers have focused, sweep gas pervaporation has received little attention. The aim of this study was to analyse opportunities for integrating and optimising both process layouts for the treatment of wastewater

We present a new analytical equation of state (EOS), which correctly models high pressure theory and fits well to the experimental data of E-Fe, SiO2, Mg2SiO4, and the Earth. The cold part of the EOS is modeled after the Varpoly EOS. The thermal part is based on a new formalism of the Gruneisen parameter, which improves behavior from earlier models and bridges the gap between elasticity and thermo

Background:Sleep affects psychiatric health and perceived stress during adolescence.Objective:The first aim of this study was to investigate the prevalence of poor sleep in a sample of Swedish adolescents aged 15 to 19 years. The second aim was to investigate correlations between: a) sleep and psychiatric symptoms and; b) sleep and perceived stress. The third aim was to examine possible sex differ

In this article, we consider scenarios in which traditional estimates for the active subspace method based on probabilistic Poincaré inequalities are not valid due to unbounded Poincaré constants. Consequently, we propose a framework that allows to derive generalized estimates in the sense that it enables to control the trade-off between the size of the Poincaré constant and a weaker order of the