๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Molecular Dynamics Study of the Thermal Entropy in Mixed Zinc Chalcogenides

โœ Scribed by Karl Jug; Nisanth N. Nair; Igor P. Gloriozov


Publisher
John Wiley and Sons
Year
2006
Weight
8 KB
Volume
37
Category
Article
ISSN
0931-7597

No coin nor oath required. For personal study only.

โœฆ Synopsis


Abstract

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.


๐Ÿ“œ SIMILAR VOLUMES


Study of the electrostatics treatment in
โœ Robert Garemyr; Arne Elofsson ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 355 KB ๐Ÿ‘ 3 views

This article considers the treatment of long-range interactions in molecular dynamics simulations. We investigate the effects of using different cutoff distances, constant versus distancedependent dielectric, and different smoothing methods. In contrast to findings of earlier studies, we find that i

A Molecular Dynamics Investigation of th
โœ K.J. Rao; S. Balasubramanian; K.V. Damodaran ๐Ÿ“‚ Article ๐Ÿ“… 1993 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 337 KB

A molecular diynamics stimuiation of alkali sulfate-zinc sulfate melts and glasses is presented. Oxygen coordinations of \(\mathrm{Zn}^{2+}, \mathrm{Na}^{+}\), and \(\mathrm{K}^{+}\)cations have been found to be nearly six, eight, and twelve respectively. The radial distribution function has been ca

Coordination number of zinc ions in the
โœ Jaroslav Koca; Chang-Guo Zhan; Robert C. Rittenhouse; Rick L. Ornstein ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 264 KB

## Abstract We have run several molecular dynamics (MD) simulations on zincโ€containing phosphotriesterase (PTE) with two bound substrates, sarin and paraoxon, and with the substrate analog diethyl 4โ€methylbenzylphosphonate. A standard nonbonded model was employed to treat the zinc ions with the com