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Multi-layered molecular charge-transfer salts containing alkali metal ions

✍ Scribed by Martin, Lee; Day, Peter; Clegg, William; Harrington, Ross W.; Horton, Peter N.; Bingham, Ann; Hursthouse, Michael B.; McMillan, Paul; Firth, Steven


Book ID
121227741
Publisher
Royal Society of Chemistry
Year
2007
Tongue
English
Weight
765 KB
Volume
17
Category
Article
ISSN
0959-9428

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## Abstract The question whether molecular dynamics (MD) simulations can yield reliable structural and dynamical properties of metalloproteins depend on the accuracy of the force field, i.e., the potential energy function (PEF) and associated parameters modeling the interactions of the metal ion of