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ChemInform Abstract: The Properties of Water: Insights from Quantum Simulations

✍ Scribed by Francesco Paesani; Gregory A. Voth

Publisher
John Wiley and Sons
Year
2009
Weight
15 KB
Volume
40
Category
Article
ISSN
0931-7597

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✦ Synopsis

Abstract

ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

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## Abstract The Cu^II^ hydration shell structure has been studied by means of classical molecular dynamics (MD) simulations including three‐body corrections and hybrid quantum‐mechanical/molecular‐mechanical (QM/MM) molecular dynamics (MD) simulations at the Hartree–Fock level. The copper(II) ion i