Problem solving tool overview

The first brief review on ° Zn SSNMR spectroscopy was written by Wu in 1998 [11]. Two overviews of Zn SSNMR later appeared in 2001 [12] and 2002 [13]. These reviews were mainly focused on the applications of Zn SSNMR spectroscopy to several inorganic materials and coordination compounds. EUis and Lipton later pubfished a review with particular attention being paid to the low-temperature SSNMR experimental methods designed for Zn and Mg [14]. In the book of The Chemistry of Organozinc Compounds, Zn NMR spectroscopy ofboth solution and sofids was briefly reviewed [15]. The research paper by Power and co-worker pubfished in 2010 provides a survey of Zn NMR parameters in sofids [16]. Very recently, Zn SSNMR spectroscopy of zinc-binding proteins was briefly summarized [17]. Here, we set out to provide a concise, but complete, overview of the literature relevant to Zn SSNMR spectroscopy up to early 2013. It is our hope that the article will encourage more people to choose Zn SSNMR spectroscopy as a tool for solving the problems encountered in their research. 

Abstract Multiscale QM/MM approaches are nowadays a well-established computational tool to study properties and processes of supramolecular systems. In this chapter, an overview of the extension of these methods to photoinduced processes in biological systems will be presented and discussed. The attention will be focused on the strategies which can be used to properly describe the static and dynamic effects that the environment exerts on the electronic states involved in the processes. Specific problems related to the modeling of stationary properties and correlations, as well as reactive events will be analyzed and the computational tools developed so far within the QM/MM framework to solve them will be described. 

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