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Cover Image, Volume 112, Issue 17


Abstract

original image

Large scale Jahn-Teller systems, such as the biologically important iron-sulfur proteins, polynuclear metal-oxide clusters, and metal ions in crystals, present a complicated dynamic problem that, in general, cannot be solved analytically. In fact, the vibronic properties of these systems have remained unknown due to the lack of efficient computational tools. On page 2957, Boris Tsukerblat, Andrew Palii, Juan M. Clemente-Juan, Alejandro Gaita-Arinõ, and Eugenio Coronado present a symmetry-adapted approach aimed at the accurate solution of this problem. The image on the cover and left illustrates an ideal system for the application of this method, the reduced mixed-valence dodecanuclear Keggin anion, in which the electronic pair is delocalized over 12 sites.

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