Article ID Journal Published Year Pages File Type
5385210 Chemical Physics Letters 2010 6 Pages PDF
Abstract
► The first empirical valence bond molecular dynamics study of an SN2 reaction in water clusters. ► A quantitative insight into how few water molecules affect electronic structure during a reaction. ► The convergence to bulk behavior occurs with different rates, depending on the quantity studied.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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