Search results for "Chemical environment"
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Iron’s Wake: The Performance of Quantum Mechanical-Derived Versus General-Purpose Force Fields Tested on a Luminescent Iron Complex
2020
Recently synthetized iron complexes have achieved long-lived excited states and stabilities which are comparable, or even superior, to their ruthenium analogues, thus representing an eco-friendly and cheaper alternative to those materials based on rare metals. Most of computational tools which could help unravel the origin of this large efficiency rely on ab-initio methods which are not able, however, to capture the nanosecond time scale underlying these photophysical processes and the influence of their realistic environment. Therefore, it exists an urgent need of developing new low-cost, but still accurate enough, computational methodologies capable to deal with the steady-state and trans…
Composition and corrosion phases of Etruscan Bronzes from Villanovan Age
2008
A neutron diffraction (ND) and neutron tomography (NT) study of laminated ancient bronzes was performed at the ISIS (Rutherford Appleton Laboratory, UK) neutron source and at the BENSC reactor (Hahn-Meitner Institut, Germany). The samples are part of an 8th century BC Etruscan collection discovered in the necropolises of Osteria-Poggio Mengarelli and Cavalupo in the Vulci area (Viterbo, Italy). The study allowed us to derive-in a totally non-destructive manner-information related to the main composition of the objects, possible presence of alterations and their nature, crusts and inclusions, as well as structure of the bulk. The presence of some components is linked to a variety of question…