Chemistry

Christoph van Wüllen
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Christoph van Wüllen: Technische Universität Berlin, Institut für Chemie, Sekr. C3

A chapter in High Performance Computing in Science and Engineering’ 04, 2005, pp 311-313 from Springer

Abstract: Abstract Chemistry is a science of change. At the heart of a chemical reaction, chemical change happens through the formation of new bonds (and breaking of of old ones). Properties such as the electronic and geometric structure of molecules and their energies are relevant to chemistry, but these are still static proper-ties. Chemical reactions on the other hand are dynamic, that is, something happens.

Keywords: Wave Packet; Potential Energy Surface; Transition State Theory; Nuclear Motion; Minimum Energy Path (search for similar items in EconPapers)
Date: 2005
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Persistent link: https://EconPapers.repec.org/RePEc:spr:sprchp:978-3-540-26589-4_28

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DOI: 10.1007/3-540-26589-9_28

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