𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An effective force field for molecular dynamics simulations of dimethyl sulfone

✍ Scribed by Hansen, Niels; Kraus, Peter; Saßmannshausen, Heiner; Timmerscheidt, Tobias; van Gunsteren, Wilfred F.


Book ID
118737301
Publisher
Taylor and Francis Group
Year
2011
Tongue
English
Weight
350 KB
Volume
109
Category
Article
ISSN
0026-8976

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Polarizable force field for water-dimeth
✍ Qiang Zhang; Xia Zhang; Dong-Xia Zhao 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 1000 KB

A consistent polarizable force field for dimethyl sulfoxide (DMSO) with the TIP4P-FQ (fluctuating charge) water model was developed to explore the properties of pure DMSO liquid and the DMSO-water mixtures in this work. The DMSO-water mixtures at a range of concentrations of DMSO were selected to ex

New all-atom force field for molecular d
✍ Matej Praprotnik; Stanko Hočevar; Milan Hodošček; Matej Penca; Dušanka Janežič 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 294 KB

## Abstract A force field of the triclinic framework of AlPO~4~‐34, important in methanol–hydrocarbon conversion reactions, was developed using an empirical potential function. Molecular dynamics simulation of an AlPO~4~‐34 triclinic framework segment of 1216 atoms, containing the template molecule