Reactivity study encompassed calculations of a set of quantities such as: HOMO-LUMO gap, MEP and ALIE surfaces, Fukui functions, bond dissociation energies and radial distribution functions.
The local atomic structure evolution in Al2Au alloy during solidification from 2000 K to 400 K was studied by ab initio molecular dynamics simulations and analyzed using the structure factor, pair correlation functions, bond angle distributions, the Honeycutt Anderson (HA) index and Voronoi tessellation methods.
Participants completed questionnaires, which included self-report of depressive and anxiety symptoms, health status (e.g., quality of life and functioning), social bonding, and perception of the credibility of the two interventions.Both groups showed improvements in depression, anxiety, emotional well being, and social functioning as measured by respective scales.
Essential Function Bonds: An Emerging Tool for Affordable Housing Finance.
"Essential Function Bonds: An Emerging Tool for Affordable Housing Finance". KSG Faculty Research Working Papers Series RWP03-015, March 2003.
The structural features of the models are investigated in terms of pair correlation functions, bond-angles, pore-size distribution and carbon hybridization content.
Structural classification of the resultant ensembles (averaged pair correlation function, bond-order parameter, translational order parameter, and Voronoi diagrams) shows that stochastic and dynamic approaches do not alter the morphology of the steric molecules.
A well-functioning bond market needs a way to restructure bonds via noncoercive votes.
Because they're works of art, Gates told me, the marble will actually increase in value, functioning like real bonds.
Gallo, E. et al. Carbon carbon bonds functioning as electron shuttles: the generation of electron-rich manganese(II)–Shiff base complexes and their redox chemistry.
With its bonds functioning as bank notes, the company gradually moved into the business of lending and discounting to other linen manufacturers, and in the early 1770s banking became its main activity.
