✦ LIBER ✦

A molecular dynamics study of liquid methanol with a flexible three-site model

✍ Scribed by Palinkas, G.; Hawlicka, E.; Heinzinger, K.

Book ID: 121465655
Publisher: American Chemical Society
Year: 1987
Tongue: English
Weight: 884 KB
Volume: 91
Category: Article
ISSN: 0022-3654
DOI: 10.1021/j100300a026

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

A molecular dynamics study of liquid met

A molecular dynamics study of liquid methanol with a flexible six-site model

✍ E. Hawlicka; G. Pálinkás; K. Heinzinger 📂 Article 📅 1989 🏛 Elsevier Science 🌐 English ⚖ 371 KB

The Structure of Liquid Methanol: A Mole

The Structure of Liquid Methanol: A Molecular Dynamics Study Using Three-Site Models

✍ Bianchi, L.; Kalugin, O. N.; Adya, A. K.; Wormald, C. J. 📂 Article 📅 2000 🏛 Taylor and Francis Group 🌐 English ⚖ 762 KB

Flexible Molecular Model of Methanol for

Flexible Molecular Model of Methanol for a Molecular Dynamics Study of Liquid and Supercritical Conditions

✍ Honma, Tetsuo; Liew, Chee Chin; Inomata, Hiroshi; Arai, Kunio 📂 Article 📅 2003 🏛 American Chemical Society 🌐 English ⚖ 225 KB

Liquid−Vapor Interface of Methanol−Water

Liquid−Vapor Interface of Methanol−Water Mixtures: A Molecular Dynamics Study

✍ Chang, Tsun-Mei; Dang, Liem X. 📂 Article 📅 2005 🏛 American Chemical Society 🌐 English ⚖ 124 KB

A molecular dynamics study of methanol n

A molecular dynamics study of methanol near the liquid–glass transition

✍ Sindzingre, Philippe; Klein, Michael L. 📂 Article 📅 1992 🏛 American Institute of Physics 🌐 English ⚖ 1006 KB

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