𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Ab Initio Molecular Dynamics Investigation of the Structure and the Noncollinear Magnetism in Liquid Oxygen: Occurrence of O4 Molecular Units

✍ Scribed by Oda, Tatsuki; Pasquarello, Alfredo


Book ID
111906881
Publisher
The American Physical Society
Year
2002
Tongue
English
Weight
124 KB
Volume
89
Category
Article
ISSN
0031-9007

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Structure and dynamics of the Cr(III) io
✍ Chinapong Kritayakornupong; Kristof Plankensteiner; Bernd M. Rode πŸ“‚ Article πŸ“… 2004 πŸ› John Wiley and Sons 🌐 English βš– 202 KB πŸ‘ 2 views

## Abstract Structural and dynamical properties of the Cr(III) ion in aqueous solution have been investigated using a combined __ab initio__ quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulation. The hydration structure of Cr(III) was determined in terms of radial distributi