LiCl solvation in N-methyl-acetamide (NMA) as a model for understanding Li+binding to an amide plane
Author:
Affiliation:
1. G.A. Krestov Institute for Solution Chemistry
2. Russian Academy of Sciences
3. Ivanovo
4. Russia
5. Centre for Molecular Simulation
6. BI-447
7. University of Calgary
8. Calgary
9. Canada
Abstract
Design of ion-selective materials will require novel polarizable potential functions for molecular simulations.
Funder
Natural Sciences and Engineering Research Council of Canada
Russian Foundation for Basic Research
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP04847H
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1. Protein Design: Toward Functional Metalloenzymes
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