The small-angle X-ray scattering (SAXS) methodology enables structural characterization of biological macromolecules in solution. However, because SAXS provides low-dimensional information, several potential structural configurations can reproduce the experimental scattering profile, which severely complicates the structural refinement process. Here, we present a bias-exchange metadynamics refi...

This paper brings together resource-based theory and contingency theory to analyse organizational capability in the public sector. Fuzzy-set Qualitative Comparative Analysis is used to identify configurations of organizational attributes (department size, structural complexity, agencification, personnel instability, use of temporary employees), associated with high and low organizational capabi...

This paper brings together resource-based theory and contingency theory to analyse organizational capability in the public sector. Fuzzy-set Qualitative Comparative Analysis is used to identify configurations of organizational attributes (department size, structural complexity, agencification, personnel instability, use of temporary employees), associated with high and low organizational capabi...

This paper brings together resource-based theory and contingency theory to analyse organizational capability in the public sector. Fuzzy-set Qualitative Comparative Analysis is used to identify configurations of organizational attributes (department size, structural complexity, agencification, personnel instability, use of temporary employees), associated with high and low organizational capabi...

This paper presents a new framework for the coupled optimization of aero-structural systems. The framework permits the use of high-fidelity modeling of both the aerodynamics and the structures and represents our first step in an effort towards the development of a high-fidelity multidisciplinary optimization capability. The approach is based on efficient analysis methodologies for the solution ...

-This paper addresses the problem of evaluation of alternative control configurations on the basis of structural characteristics of the process. Relative order is proposed as the main analysis tool for this purpose. Using tools from graph theory, it is shown that generic calculation of relative orders requires only structural information about the process. Relative order is interpreted as a str...

In this manuscript, density functional theory was used to explore structural, vibrational and optical properties of the (Sc2O3)n (n=1-5) cluster systems using DFT/B3LYP/LanL2DZ level of computation. Different stable isomers were obtained and numerous chemical parameters such as HOMO-LUMO gap, ionization potential and electron affinity were calculated successfully. Stability of the clusters was ...