𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Prediction of thermodynamic properties for fluid nitrogen with molecular dynamics simulations

✍ Scribed by C. Kriebel; A. Müller; M. Mecke; J. Winkelmann; J. Fischer


Publisher
Springer
Year
1996
Tongue
English
Weight
586 KB
Volume
17
Category
Article
ISSN
0195-928X

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Thermodynamic properties of MgSiO3perovs
✍ Björn Winkler; Martin T. Dove 📂 Article 📅 1992 🏛 Springer-Verlag 🌐 English ⚖ 954 KB

A molecular dynamics simulation study of MgSiO3 has been performed using a large sample containing 4096 unit cells. Thermodynamic properties have been extracted using a semiclassical approximation to the correct quantum mechanical treatment, using the calculated density of states and the quantum har

Molecular dynamics simulations of fluid
✍ Shih-Wei Chao; Arvin Huang-Te Li; Sheng D. Chao 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 487 KB 👁 1 views

## Abstract Intermolecular interaction energy data for the methane dimer have been calculated at a spectroscopic accuracy and employed to construct an __ab initio__ potential energy surface (PES) for molecular dynamics (MD) simulations of fluid methane properties. The full potential curves of the m