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| Artikel-Nr.:
858A-9783540649786 Herst.-Nr.:
9783540649786 EAN/GTIN:
9783540649786 |
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| The main subjects are: - a comprehensive mathematical description of molecular systems, - a new reaction path concept, - an algorithm for following the reaction path.The reaction path's tangent is determined by an excitation vector and the saddle points surrounding a minimizer can be localized without further information. A procedure appropriate to trace these reaction paths is presented. Weitere Informationen: | | Author: | Wolfgang Kliesch | Verlag: | Springer Berlin | Sprache: | eng |
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| Weitere Suchbegriffe: potential energy surface; reaction path; Theoretical Chemistry, potential energy surface, reaction path, theoretical chemistry |
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