Reaction and Molecular Dynamics

Beschreibung

The amazing growth of computational resources has made possible the modeling of complex chemical processes. To develop these models one needs to proceed from rigorous theoretical methods to approximate ones by exploiting the potential of innovative architectural features of modern concurrent processors. This book reviews some of the most advanced theoretical approaches in the field of molecular reaction dynamics in order to cope as rigorously as possible with the complexity of real systems.

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A. Lagana

Themen in »Reaction and Molecular Dynamics«

Atom Chemische Reaktionen Computational chemistry Computerchemie Moleküldynamik Potential chemical reactions mechanics molecular dynamics quantum chemistry

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