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The Kineticist's Workbench: Combining Symbolic and Numerical Methods in the Simulation of Chemical Reaction Mechanisms

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dc.contributor.author Eisenberg, Michael A. en_US
dc.date.accessioned 2004-10-22T20:15:57Z
dc.date.available 2004-10-22T20:15:57Z
dc.date.issued 1991-05-01 en_US
dc.identifier.other AITR-1306 en_US
dc.identifier.uri http://hdl.handle.net/1721.1/7288
dc.description.abstract The Kineticist's Workbench is a program that simulates chemical reaction mechanisms by predicting, generating, and interpreting numerical data. Prior to simulation, it analyzes a given mechanism to predict that mechanism's behavior; it then simulates the mechanism numerically; and afterward, it interprets and summarizes the data it has generated. In performing these tasks, the Workbench uses a variety of techniques: graph- theoretic algorithms (for analyzing mechanisms), traditional numerical simulation methods, and algorithms that examine simulation results and reinterpret them in qualitative terms. The Workbench thus serves as a prototype for a new class of scientific computational tools---tools that provide symbiotic collaborations between qualitative and quantitative methods. en_US
dc.format.extent 24477392 bytes
dc.format.extent 9587886 bytes
dc.format.mimetype application/postscript
dc.format.mimetype application/pdf
dc.language.iso en_US
dc.relation.ispartofseries AITR-1306 en_US
dc.title The Kineticist's Workbench: Combining Symbolic and Numerical Methods in the Simulation of Chemical Reaction Mechanisms en_US


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