𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab initio simulations of water and water ions

✍ Scribed by Tuckerman, M E; Laasonen, K; Sprik, M; Parrinello, M

Book ID
120416236
Publisher
Institute of Physics
Year
1994
Tongue
English
Weight
357 KB
Volume
6
Category
Article
ISSN
0953-8984

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Properties of supercritical water: an ab
Properties of supercritical water: an ab initio simulation
✍ E.S. Fois; M. Sprik; M. Parrinello πŸ“‚ Article πŸ“… 1994 πŸ› Elsevier Science 🌐 English βš– 435 KB

Using ab initio molecular dynamics we have simulated the properties of supercritical water at the densityp=O.64 g/cm3 and temperature T= 730 K. We calculate the neutron diffraction structure factors for various isotopic concentrations and find excellent agreement with experiment. The real-space pair