✦ LIBER ✦

On the structure of aqueous cesium bromide solutions: Diffraction experiments, molecular dynamics simulations and Reverse Monte Carlo modeling

✍ Scribed by Viktória Mile; Orsolya Gereben; Shinji Kohara; László Pusztai

Publisher: Elsevier Science
Year: 2010
Tongue: English
Weight: 749 KB
Volume: 157
Category: Article
ISSN: 0167-7322
DOI: 10.1016/j.molliq.2010.08.003

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

On the hydration structure of LiCl aqueo

On the hydration structure of LiCl aqueous solutions: A Reverse Monte Carlo based combination of diffraction data and Molecular Dynamics simulations

✍ I. Harsányi; Ph. A. Bopp; A. Vrhovšek; L. Pusztai 📂 Article 📅 2011 🏛 Elsevier Science 🌐 English ⚖ 745 KB

Reverse Monte Carlo (RMC) calculations have been carried out on aqueous LiCl solutions at several concentrations, comparing experimental X-ray and neutron diffraction data with partial radial distribution functions (prdf) from Molecular Dynamics (MD) simulations based on conventional ion-ion, ion-wa

Detailed structural analysis of a 2 mola

Detailed structural analysis of a 2 molal aqueous rubidium bromide solution: A combined molecular dynamics and Reverse Monte Carlo approach

✍ László Pusztai; Hector Dominguez; Orest Pizio; Stefan Sokolowski 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 295 KB