𝔖 Bobbio Scriptorium
✦   LIBER   ✦

The energetics and structure of the hydrogarnet defect in grossular: A computer simulation study

✍ Scribed by Kate Wright; R. Freer; C. R. A. Catlow


Publisher
Springer-Verlag
Year
1994
Tongue
English
Weight
406 KB
Volume
20
Category
Article
ISSN
0342-1791

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


LDF pseudopotential calculations of the
✍ J. Purton; R. Jones; M. Heggie; S. Γ–berg; C. R. A. Catlow πŸ“‚ Article πŸ“… 1992 πŸ› Springer-Verlag 🌐 English βš– 418 KB

Ab initio LDF theory has been used to study the structure of the hydrogarnet defect in c~-quartz. The predicted structure is in good agreement with the available experimental data. The techniques employed also yield a good model for the structure of a:quartz, giving an average Si-O bond length of 1.

The Structure and Thermodynamics of a He
✍ Andrzej Sikorski πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 237 KB

## Abstract A coarse‐grained model of heteropolymer (polypeptide) chains in a slit was designed in order to study the folding process in confinement. The idealized chains represented heteropolymers consisted of hydrophobic and hydrophilic united atoms, which were restricted to vertices of a (310) l