Structure and bonding in ionized water clusters

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Structure and bonding in ionized water clusters

The structure and bonding in ionized water clusters, (H_2O)n+(n = 3–9), has been studied using the basin hopping search algorithm in combination with quantum chemical calculations. Initially candidate low energy isomers are generated using basin hopping in conjunction with density functional theory....

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Bibliographic Details
Main Authors:	Do, Hainam, Besley, Nicholas A.
Format:	Article
Published:	American Chemical Society 2013
Subjects:	computational chemistry molecular clusters basin hopping hemibonding
Online Access:	https://eprints.nottingham.ac.uk/29970/

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