𝔖 Bobbio Scriptorium
✦   LIBER   ✦

A comparison of the potential energy parameters of aliphatic alkanes: molecular dynamics simulations of triacylglycerols in the alpha phase

✍ Scribed by Indira Chandrasekhar, Wilfred F. van Gunsteren


Publisher
Springer
Year
2002
Tongue
English
Weight
202 KB
Volume
31
Category
Article
ISSN
1432-1017

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


The effect of interatomic potential in m
✍ H.Y. Chan; K. Nordlund; J. Peltola; H.-J.L. Gossmann; N.L. Ma; M.P. Srinivasan; πŸ“‚ Article πŸ“… 2005 πŸ› Elsevier Science 🌐 English βš– 367 KB

Being able to accurately predict dopant profiles at sub-keV implant energies is critical for the microelectronic industry. Molecular Dynamics (MD), with its capability to account for multiple interactions as energy lowers, is an increasingly popular simulation method. We report our work on sub-keV i

Hybrid molecular dynamics-quantum mechan
✍ Matthew C. Zwier; Justin M. Shorb; Brent P. Krueger πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 369 KB

## Abstract We have explored the impact of a number of basic simulation parameters on the results of a recently developed hybrid molecular dynamics‐quantum mechanics (MD‐QM) method (Mercer et al., J Phys Chem B 1999, 103, 7720). The method utilizes MD simulations to explore the ground‐state configu

Solvation of ions in the gas-phase: a mo
✍ Orlando M. Cabarcos; James M. Lisy πŸ“‚ Article πŸ“… 1996 πŸ› Elsevier Science 🌐 English βš– 621 KB

Molecular dynamics simulations have been performed on the collision between a cesium ion and a cluster of twenty methanol molecules. This process, generating a solvated ion, was studied over a range (I to 25 eV> of eight collision energies. Preliminary analysis of this gas phase solvation has includ