We have developed a new reactive force field, ReaxFF, for use in molecular dynamics (MD) simulations to investigate the structures and reactive dynamics of complex metal oxide catalysts. The parameters in ReaxFF are derived directly from QM and have been validated to provide reasonable accuracy for a wide variety of reactions. We report the use of ReaxFF to study the activation and conversion of p

New measurements of radiative lifetimes of four 3d65s levelsin Fe II at about 10 eV are presented along with absolute oscillator strengths for twenty 4p-5s transitions involving the four levels. The experimental measurements are compared with two different sets oftheoretical calculations. The lines are of particular interest in the modeling of HLyalpha pumped fluorescence of Fe II in astrophysical

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In the narrow offshore border zone between Germany and Denmark, 550 km of high-density 3.5-kHz subbottom seismic reflection profiles were recorded within a 70-km(2) area in order to reconstruct the seismic stratigraphy of late Pleistocene to early Holocene lacustrine and fluvial environments. Using detailed line drawings, seismic facies analyses and a hierarchy of bounding surfaces, a depositional

Jämförelse av två olikalydande originalmanuskript till Axel Wallengrens (Falstaff, fakirs) bok "Lyckans lexikon" (1896).

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We investigated the effects of cell-free filtrates of the cyanobacteria Nodularia spumigena, Aphanizomenon sp. and Anabaena sp. on a brackish-water plankton community (< 150 mu m). In a laboratory experiment, we monitored the concentration of chlorophyll a and cell numbers of bacteria, phytoplankton and ciliates in the experimental units treated with cyanobacterial filtrates and the control medium

The structural gene LPGVI (1463 bp including 6 introns), characterized from the white-rot basidiomycete Trametes versicolor (PRL 572), encodes a 342-residue mature polypeptide of 36.7 kDa, preceded by a 26-residue signal/propeptide. LPGVI is identified as the gene encoding the 43 kDa lignin peroxidase isozyme LP7 as based on the partial amino acid sequence information available. The polypeptide de

Aim: The study investigated clinical and social changes during an 18-month follow-up period in a group (n = 76) of schizophrenic outpatients admitted to a newly implemented outpatient psychosis team. Changes related to level of contact with the psychosis team were also examined as well as aspects of the content of the treatment interventions and work situation from a staff perspective. Methods: St

In the light of a brief review of the theories of power — in which the definitions of power are asked when, where and how is power executed? — the article defines power as the ability of an individual or a collective actor to cause, effect and prevent action in others and to achieve the desired results. The article then concentrates on a kind of power which is called acculturation. This appears in

IL-10 is a pleiotropic cytokine with stimulatory and inhibitory properties, and is thought to have a protective role in rheumatoid arthritis and collagen-induced arthritis (CIA). In this study, we investigated how IL-10 deficiency affects CIA and anti-collagen type II (CII) Ab-transferred arthritis in C57BL/10.Q (B10.Q) mice. The B10.Q.IL-10(-/-) mice had an 8-cM 129/Ola fragment around the IL-10

The filtering, prediction and smoothing problems as well as the linear quadratic control problems can very generally be formulated as operator equations using basic linear algebra. The equations are of Fredholm type II and difficult to solve directly. It is shown how the operator can be factorized into two Volterra operators using a matrix Riccati equation. Recursive solution of these triangular o