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Molecular dynamics simulation of hydrated Nafion with a reactive force field for water

✍ Scribed by Detlef W. M. Hofmann; Liudmila Kuleshova; Bruno D’Aguanno

Book ID
106239856
Publisher
Springer-Verlag
Year
2008
Tongue
English
Weight
617 KB
Volume
14
Category
Article
ISSN
1610-2940

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📜 SIMILAR VOLUMES

Molecular dynamics simulation of hydrate
Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fields
✍ Timothy R. Lucas; Brad A. Bauer; Joseph E. Davis; Sandeep Patel 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 386 KB

## Abstract We present results of molecular dynamics simulations of a model DPPC‐water monolayer using charge equilibration (CHEQ) force fields, which explicitly account for electronic polarization in a classical treatment of intermolecular interactions. The surface pressure, determined as the diff