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- W205338656 abstract "Abstract In this chapter, techniques and methods for the structure determination of clusters are reviewed with emphasis on how the combination of experimental data and the results of quantum chemical calculations can lead to a reliable and accurate description of the electronic and geometrical structure of clusters. After a review of density functional theory methods used for the calculation of molecular properties, the basic principles and features of current experimental techniques for the analysis of clusters are discussed in the first section. The next section describes in detail, on the basis of a variety of examples, the possibility of combining experimental and theoretical results in order to obtain structural information for clusters. Special attention is paid to the question of how experimental data and the results of quantum chemical calculations can be compared, how the information obtained via experiment and theory complement each other, and what degree of agreement between theory and experiment can be expected. This leads to the final section, where the necessary experimental conditions and improvements of theoretical models and methods are summarized with the aim to achieve a better match between experimental and theoretical results, and to thus gain a deeper insight into the structural properties of clusters." @default.
- W205338656 created "2016-06-24" @default.
- W205338656 creator A5010900001 @default.
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- W205338656 date "2010-01-01" @default.
- W205338656 modified "2023-10-18" @default.
- W205338656 title "Cluster Structures" @default.
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