Chemistry and High-Performance Computing

Bernd Artur Hess
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Bernd Artur Hess: Universität Bonn, Physikalische und Theoretische Chemie

A chapter in High Performance Computing in Science and Engineering ’98, 1999, pp 159-160 from Springer

Abstract: Abstract Theoretical and Computational Chemistry are relatively recent subfields of chemistry, being developped in the last few decades. Their importance is witnessed by the fact that an ever increasing fraction of papers in top chemistry journals like the Journal ofthe American Chemical Society reports results obtained from computational methods.

Keywords: Matrix Element; American Chemical Society; Heterogeneous Catalysis; High Performance Computing; Schrodinger Equation (search for similar items in EconPapers)
Date: 1999
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-642-58600-2_17

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DOI: 10.1007/978-3-642-58600-2_17

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