Journal
CHEMICAL SOCIETY REVIEWS
Volume 41, Issue 22, Pages 7537-7571Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/c2cs35168d
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Funding
- Spanish Ministry of Science and Innovation [CTQ2011-29054-C02-01/BQU, CTQ2011-29054-C02-02/BQU]
- DGR of the Generalitat de Catalunya [2009SGR462, 2009SGR259, XRQTC]
- European fund for regional development, FEDER [UNRV10-4E-1133]
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In the thematic review dedicated to polyoxometalate (POM) chemistry published in Chemical Reviews in 1998, no contribution was devoted to theory. This is not surprising because computational modelling of molecular metal-oxide clusters was in its infancy at that time. Nowadays, the situation has completely changed and modern computational methods have been successfully applied to study the structure, electronic properties, spectroscopy and reactivity of POM clusters. Indeed, the progress achieved during the past decade has been spectacular and herein we critically review the most important papers to provide the reader with an almost complete perspective of the field.
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