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A Kirkwood−Buff Derived Force Field for Methanol and Aqueous Methanol Solutions

✍ Scribed by Weerasinghe, Samantha; Smith, Paul E.

Book ID
121331035
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
105 KB
Volume
109
Category
Article
ISSN
0022-3654

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📜 SIMILAR VOLUMES

A Kirkwood-Buff derived force field for
A Kirkwood-Buff derived force field for amides
✍ Myungshim Kang; Paul E. Smith 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 357 KB

## Abstract A force field for the computer simulation of aqueous solutions of amides is presented. The force field is designed to reproduce the experimentally observed density and Kirkwood–Buff integrals for __N__‐methylacetamide (NMA), allowing for an accurate description of the NMA activity. Othe