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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
Aims.: Marriage is associated with a reduced rate of criminal recidivism, but the underlying mechanisms have only partly been elucidated. We seek to clarify the nature of the association between marriage and recidivism and how that relationship may be moderated as a function of gender, deviance of spouse, a history of violence and familial risk. Method.: We utilise a longitudinal cohort design con
This study explores an apparently paradoxical finding in farming and fishing: low economic returns, but a high rate of occupational transmission across generations of farmers and fishers. Using a sibling model containing 11,924 children of Swedish farmers and fishers in 2012, we estimate that farmers' sons who became farmers received 28 per cent lower income than same-sex siblings with a career ou
The Bridge is a television drama that is suggestive of the significance of place in understanding international formats. The specificity of place is built into the storytelling, as the format is located in the geo-cultural politics of border territories in three versions of the drama series set between Sweden and Denmark, Britain and France, and USA and Mexico (Filmlance International and Shine Gr
This paper examines the conduct and the effects of Swedish monetary policy in the 1930's. Three major conclusions emerge from the study: (1) The conduct of monetary policy specifically the devaluation of the Swedish currency in 1931 and the subsequent program of price stabilization, had a major effect on the aggregative behavior of the Swedish economy in the 1930's. (2) The impact of the new fisca
Studying the effects of the climate change on buildings contains two major fields: energy consumption and durability. In the field of durability the moisture effects on the building play a significant role. In Sweden the last 10-15 years have been mild and wet compared to previously. Precipitation increased considerably during the period (+11 %), whereas temperature increase were weaker (+ 0.7 oC)
Introduction: The prevalence of metabolic syndrome (MetS) is increasing in Iran. We assessed the relationship between socioeconomic status (SES) and Mets components in the Iranian population. Materi- als and Methods: The sample for this study comprised a random cross-section of men and women from two province districts who participated in the Isfahan Healthy Heart Program (IHHP) in 2007. Each part
The excitation functions for elastic α-particle scattering by 12C, 16O, 18O, and 20Ne at 180° in the c.m.s. are determined in wide energy ranges by using the new method of elastic resonance scattering on a thick target in inverse kinematics. In favorable cases, the method makes it possible to reduce considerably the time required for obtaining excitation curves. General regularities observed in th
Gastric bypass surgery results in remission of type 2 diabetes in the majority of patients. The incretin hormones glucagon-like peptide 1 (GLP-1) and glucose-dependent insulinotropic polypeptide (GIP) have been implicated in the observed remission. Most knowledge so far has been generated in obese subjects. To isolate the surgical effects of gastric bypass on metabolism and hormone responses from
Since the seriousness and urgency of climate change has surfaced during the last decade, researchers, experts, and even the pope have argued that dealing with it is a moral issue. However, emissions keep rising and it seems as if few people in the north are ready and willing to make any substantial lifestyle changes to minimize the potentially catastrophic consequences, mainly to the south. Intern
A well-established observation in nuclear physics is that in neutron-rich spherical nuclei the distribution of neutrons extends farther than the distribution of protons. In this work, we scrutinize the influence of this so called neutron-skin effect on the centrality dependence of high-pT direct-photon and charged-hadron production. We find that due to the estimated spatial dependence of the nucle
To avoid the fierce competition for food, South African ball-rolling dung beetles carve a piece of dung off a dung-pile, shape it into a ball and roll it away along a straight line path. For this unidirectional exit from the busy dung pile, at night and day, the beetles use a wide repertoire of celestial compass cues. This robust and relatively easily measurable orientation behavior has made ball-
This thesis investigates two areas of the philosophy of mind where empirical data play a role in philosophical argument. The first area, investigated in three papers, is the higher-order thought theory of consciousness, and specifically the possibility of higher-order thoughts misrepresenting what state an individual is actually in. The second area, investigated in two papers, is free will. The in
Global warming will unquestionably increase the impact of heat on individuals who work in already hot workplaces in hot climate areas. The increasing prevalence of this environmental health risk requires the improvement of assessment methods linked to meteorological data. Such new methods will help to reveal the size of the problem and design appropriate interventions at individual, workplace and
This is a protocol for a Cochrane Review (Intervention). The objectives are as follows: To assess and compare the effects and complication rates of licensed bioengineered nerve conduits or wraps for surgical repair of traumatic peripheral nerve injuries of the upper limb. To compare effects and complications against the current gold surgical standard (nerve autograft).
