Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: an application to the study of Zn(II) in water

Phys. Chem. Chem. Phys., 2018, Accepted Manuscript DOI: 10.1039/C8CP04355H, PaperFrancesco Stellato, Matteo Calandra, Francesco D'Acapito, Emiliano De Santis, Giovanni La Penna, Giancarlo Rossi, Silvia Morante We develop a multi-scale theoretical approach aimed at calculating from first-principle X-ray absorption spectra of liquid solutions and disordered systems. We test the method by considering the paradigmatic case of... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - September 12, 2018 Category: Chemistry Authors: Francesco Stellato Source Type: research