𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Molecular Dynamics Simulation of Liquid 2-Heptanone, Pure and Saturated with Water

✍ Scribed by Fernandes, Pedro Alexandrino; Cordeiro, M. Natália D. S.; Gomes, José A. N. F.

Book ID
127203435
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
120 KB
Volume
103
Category
Article
ISSN
0022-3654

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Molecular dynamics simulations of liquid
Molecular dynamics simulations of liquid methanol and methanol–water mixtures with polarizable models
✍ Haibo Yu; Daan P. Geerke; Haiyan Liu; Wilfred F. van Gunsteren 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 476 KB

## Abstract A polarizable model for simulation of liquid methanol, compatible with the COS/G2 water model, has been developed using the Charge‐on‐Spring (COS) technique. The model consists of three point charges, with one polarizable center on the oxygen atom. The Lennard–Jones parameters on the ox