Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms
The Kineticist's Workbench is a computer program currently under development whose purpose is to help chemists understand, analyze, and simplify complex chemical reaction mechanisms. This paper discusses one module of the program that numerically simulates mechanisms and constructs quali...
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| Giella: | en_US |
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2004
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| Liŋkkat: | http://hdl.handle.net/1721.1/6520 |
| _version_ | 1826199679916834816 |
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| author | Eisenberg, Michael |
| author_facet | Eisenberg, Michael |
| author_sort | Eisenberg, Michael |
| collection | MIT |
| description | The Kineticist's Workbench is a computer program currently under development whose purpose is to help chemists understand, analyze, and simplify complex chemical reaction mechanisms. This paper discusses one module of the program that numerically simulates mechanisms and constructs qualitative descriptions of the simulation results. These descriptions are given in terms that are meaningful to the working chemist (e.g., steady states, stable oscillations, and so on); and the descriptions (as well as the data structures used to construct them) are accessible as input to other programs. |
| first_indexed | 2024-09-23T11:24:14Z |
| id | mit-1721.1/6520 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T11:24:14Z |
| publishDate | 2004 |
| record_format | dspace |
| spelling | mit-1721.1/65202019-04-12T08:31:21Z Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms Eisenberg, Michael The Kineticist's Workbench is a computer program currently under development whose purpose is to help chemists understand, analyze, and simplify complex chemical reaction mechanisms. This paper discusses one module of the program that numerically simulates mechanisms and constructs qualitative descriptions of the simulation results. These descriptions are given in terms that are meaningful to the working chemist (e.g., steady states, stable oscillations, and so on); and the descriptions (as well as the data structures used to construct them) are accessible as input to other programs. 2004-10-04T15:14:32Z 2004-10-04T15:14:32Z 1989-09-01 AIM-1171 http://hdl.handle.net/1721.1/6520 en_US AIM-1171 2742472 bytes 1069909 bytes application/postscript application/pdf application/postscript application/pdf |
| spellingShingle | Eisenberg, Michael Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms |
| title | Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms |
| title_full | Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms |
| title_fullStr | Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms |
| title_full_unstemmed | Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms |
| title_short | Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms |
| title_sort | descriptive simulation combining symbolic and numerical methods in the analysis of chemical reaction mechanisms |
| url | http://hdl.handle.net/1721.1/6520 |
| work_keys_str_mv | AT eisenbergmichael descriptivesimulationcombiningsymbolicandnumericalmethodsintheanalysisofchemicalreactionmechanisms |