𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular dynamics study of Li3N

✍ Scribed by S. Ihara; K. Suzuki

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
203 KB
Volume
110
Category
Article
ISSN
0375-9601

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Molecular dynamics study of Li2SiS3 glas
Molecular dynamics study of Li2SiS3 glass
✍ M. Seshasayee; K. Muruganandam πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 286 KB

Molecular dynamics simulation has been carried out for highly conducting Li,SiS, glass at temperatures ranging from 300-1800 K in order to investigate the glass structure and dynamical behaviour of the mobile ions Li'. The glass transition temperature obtained from the change in energy and diffusion

Li3N studied by positrons
Li3N studied by positrons
✍ S. Linderoth; H.E. Hansen; A.V. Shishkin; S. Skaarup; M.D. Bentzon πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 277 KB
Quantum chemical study of the molecular
Quantum chemical study of the molecular dynamics of hydrated Li+ And Be2+ cations
✍ Gerhard Bischof; Alexander Silbernagl; Kersti Hermansson; Michael Probst πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 265 KB πŸ‘ 2 views

Molecular dynamics simulations of clusters of Li q and Be 2q cations with up to 12 water molecules were performed calculating the particle trajectories using Hartree᎐Fock-derived forces. It was found that independent of the starting configuration tetrahedral clusters are obtained in less than 1 ps.

Structure and dynamics of waterβ€”molecula
Structure and dynamics of waterβ€”molecular dynamics study
✍ M. SokΓ³Ε‚; A. Dawid; Z. Dendzik; Z. Gburski πŸ“‚ Article πŸ“… 2004 πŸ› Elsevier Science 🌐 English βš– 248 KB

We carried out NPT ensemble classical molecular dynamics simulation of water in solid, liquid and gaseous state. The simulations were performed for two density cases-normal (r ΒΌ 1 g/cm 3 ) and lowered density (r ΒΌ 0:25 g/cm 3 ), for several values of temperature. The calculated structural and dynami