In this work, we present a parallel approach to complete and restricted active space second-order perturbation theory, (CASPT2/RASPT2). We also make an assessment of the performance characteristics of its particular implementation in the Molcas quantum chemistry programming package. Parallel scaling is limited by memory and I/O bandwidth instead of available cores. Significant time savings for cal

Short-term survival in patients undergoing transcatheter aortic valve implantation is favorable. Our aim was to evaluate late survival and composite clinical endpoints specified by the Valve Academic Research Consortium-2, including rehospitalization for congestive heart failure.

The large number of high-spin bands that have been observed in A=56-62 nuclei are analyzed systematically within the cranked Nilsson-Strutinsky approach. Optimized Nilsson single-particle parameters are derived from investigations of energy differences between experimental and calculated rotational bands. Specifically, the relative energies of bands in neighboring nuclei whose configurations diffe

A focused MeV proton beam at the Lund Ion Beam Analysis Facility has been used to induce radiation damage in transmission semiconductor detectors. The damage alters the response of detectors and degrades their charge transport properties. In this work, the radiation tolerance of ultra-thin silicon PIN detectors was studied as a function of proton fluences and detector thickness using a scanning pr

A novel BVMO encoding gene was identified from a draft genome sequence of a newly isolated strain of Dietzia. Analysis of the protein sequence revealed that it belongs to a group of BVMOs whose most characterized member is cyclopentadecanone monooxygenase (CPDMO). The gene was PCR amplified, cloned and successfully expressed in E. coli. The expressed recombinant enzyme was purified using metal aff

Computing accurate visibility for thin primitives, such as hair strands, fur, grass, at all scales remains difficult or expensive. To that end, we present an efficient visibility algorithm based on spatial line sampling, and a novel intersection algorithm between line sample planes and Bezier splines with varying thickness. Our algorithm produces accurate visibility both when the projected width o

The main interest of designers is not only to determine the amplitudes of tillage forces but also the type of their distributions under different soil mechanical properties with object of achieving reliable designs. Whereas, the deterministic design approach consists in achieving designs without considering the randomness of the design parameters that may lead to non reliable designs. In this work

The inclusive production of D*(+/-)(2010) mesons in deep-inelastic e(+/-)p scattering is measured in the kinematic region of photon virtuality 100 < Q(2) < 1000 GeV2 and inelasticity 002 < y < 0 7 Single and double differential cross sections for inclusive D* meson production are measured in the visible range defined by vertical bar eta(D*)vertical bar < 1 5 and p(gamma)(D*) > 1 5 GeV The data wer

Background: The aim was to study health-related quality of life, five years after an intervention study among young adults with asthma. Method: The design was a follow-up study of a cohort of young adults with asthma (n = 64) and 248 general, population controls. Both groups were investigated at follow-up with a respiratory questionnaire and one generic quality-of-life instrument, and the asthma c