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In this report, we summarize and describe the recent unique updates and additions to the Molcas quantum chemistry program suite as contained in release version 8. These updates include natural and spin orbitals for studies of magnetic properties, local and linear scaling methods for the Douglas-Kroll-Hess transformation, the generalized active space concept in MCSCF methods, a combination of multi
Context. Atomic data is crucial for astrophysical investigations. To understand the formation and evolution of stars, we need to analyse their observed spectra. Analysing a spectrum of a star requires information about the properties of atomic lines, such as wavelengths and oscillator strengths. However, atomic data of some elements are scarce, particularly in the infrared region, and this paper i
Despite various criticisms, Ian Barbour's fourfold classification of the possible relationships between religion and science remains influential. I compare Barbour's taxonomy with the theories of four authors who, in the last four decades, have addressed the relationship between science and religion from a Muslim perspective. The aim of my analysis is twofold. First, I offer a comparative perspect
How the Internet spawns community and gets its features into offline life is a recurring problem met in searches for “impacts” of its successive iterations in the Middle East and arises particularly in assessing equivocal findings most recently about social media in the Arab Spring uprisings. But the problem is more methodological than ontological: it lies in viewing the Internet through a media l
Features below the first conductance plateau in ballistic quantum point contacts (QPCs) are often ascribed to electron interaction and spin effects within the single mode limit. In QPCs with a highly asymmetric geometry, we observe sharp resonance peaks when the point contacts are gated to the single mode regime, and surprisingly, under certain gating conditions, a complete destruction of the 2e(2
We report on a setup for the investigation of proton acceleration in the regime of target normal sheath acceleration. The main interest here is to focus on stable laser beam parameters as well as a reliable target setup and diagnostics in order to do extensive and systematic studies on the acceleration mechanism. A motorized target alignment system in combination with large target mounts allows fo
Chronic myeloid leukemia (CML) is characterized by a specific chromosome translocation, and its pathobiology is considered comparatively well understood. Thus, quantitative analysis of CML and its progression to blast crisis may help elucidate general mechanisms of carcinogenesis and cancer progression. Hitherto, it has been widely postulated that CML blast crisis originates mainly via cell-autono
This article examines what image of Russia is being projected in official rhetoric about the Sochi Olympics. It is argued that the imagined community being displayed is a diverse, inclusive and tolerant nation, even an international example of ethnic conviviality. The article puts this narrative in historical perspective, relating it to the mnogonatsionalnost policies of tsarist, Soviet and post-S
Popular Abstract in Swedish I de flesta fall börjar knäledsförslitning i den inre ledkammaren (medial gonartros) och medför en successiv hjulbenthet (varus). I enstaka fall börjar förslitningen i den yttre ledkammaren (lateral gonartros) innebärande kobenthet (valgus). Personer över 60-65 år behandlas kirurgiskt oftast med knäledsprotes med bra resultat. Hos yngre, mer aktiva, är denna metod sämreOsteotomy is used for correction of the altered load on the gonarthrotic knee joint. It can be performed above or below the knee. Clinical results depend on the correction after bone healing. By tibial closed wedge osteotomy (HTO), the deformity is corrected peroperatively in contrast to tibial hemicallotasis osteotomy (HCO) where the correction is performed after surgery. Comparing the two method
EPR spectroscopy has been employed to determine the nature of vanadium (+4) species in the TiO2(B)-supported vanadia catalysts. IR and EPR studies show that multiple vanadia species are observed as a function of loading. At coverages greater than 3.5 theoretical layers, the EPR signal is reminiscent of bulk V205. At lower coverages, a different magnetic species dominates the resonance and may be a
Abstract in UndeterminedVery large MIMO is a technique that potentially can offer large network capacities in multi-user scenarios where the users are equipped only with single antennas. In this paper we are investigating channel properties for a realistic, though somewhat extreme, outdoor base station scenario using a large array. We present measurement results using a 128 element linear array ba
In the study of economic-geographic structures, the shifting focus from the national state to the city and its region has highlighted the lack of reliable interurban data sets. The abundance of usable data sets on international structures and ?ows has no counterpart when studying interurban relations, which makes it hard to draw any extensive conclusions regarding the structure of world city netwo
