Quantum chemical study of the structure, spectroscopy and reactivity of NO+.(H2O)n=1-5 clusters

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Quantum chemical study of the structure, spectroscopy and reactivity of NO+.(H2O)n=1-5 clusters

Quantum chemical methods including Møller-Plesset perturbation (MP2) theory and density functional theory (DFT) have been used to study the structure, spectroscopy and reactivity of NO+.(H2O)n=1−5 clusters. MP2/6-311++G** calculations are shown to describe the structure and spectroscopy of the clust...

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Bibliographic Details
Main Authors:	Linton, Kirsty A., Wright, Timothy G., Besley, Nicholas A.
Format:	Article
Published:	Royal Society of Chemistry 2017
Online Access:	https://eprints.nottingham.ac.uk/46528/

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