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Erschienen in:
2000 | OriginalPaper | Buchkapitel
Computational Reaction and Molecular Dynamics: from Simple Systems and Rigorous Methods to Large Systems and Approximate Methods
verfasst von : Antonio Laganà, Antonio Riganelli
Erschienen in: Reaction and Molecular Dynamics
Verlag: Springer Berlin Heidelberg
Enthalten in: Professional Book Archive
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The problem of a priori calculations of the efficiency parameters of chemical reactions is discussed in view of illustrating the logical percourse that has to be followed to design related computational procedures for a realistic modeling of chemical applications. The role played by innovative architectural trends of modern computing and by the impressive development of networking and hypermedia are also considered.