Browsing Chimica by Author "Cavallo, Luigi"
Now showing items 1-2 of 2
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A molecular dymanics view of structure and reactivity
Ragone, Francesco (Universita degli studi di Salerno, 2011-02-21)The eld of computer simulations has developed into a very important branch of science providing a guess at the interactions between molecules to obtain predictions of properties as accurate as required, subject to ... -
Towards the rational design of new catalysts for organic transformations
Falivene, Laura (Universita degli studi di Salerno, 2014-02-28)The main goal of this PhD thesis has been providing a computational support to the development of new or better performing catalysts, leading to the synthesis of new materials. In this context, it is worth remembering ...