Volume 90 Issue 30 | p. 30 | Concentrates
Issue Date: July 23, 2012

New Details On Water Hexamer Structures

Simulations detail the interplay of hexamer cage, prism, and book shapes that make up the smallest drops of water
Department: Science & Technology
News Channels: JACS In C&EN
Keywords: water, water hexamer, water structure, computational, theoretical, quantum mechanics

A quantum mechanical study has shed more light on the hexamer structures that make up the smallest drops of water—that is, the clusters with the fewest number of water molecules capable of holding a three-dimensional shape via hydrogen bonding (J. Am. Chem. Soc., DOI: 10.1021/ja304528m). The hexamer is the prototypical system scientists use to understand the structure and dynamics of bulk . . .

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