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  MEXPLORER 1.0.0 – a mechanism explorer for analysis and visualization of chemical reaction pathways based on graph theory

Sander, R. (2024). MEXPLORER 1.0.0 – a mechanism explorer for analysis and visualization of chemical reaction pathways based on graph theory. Geoscientific Model Development, 17(6), 2419 -2425. doi: 10.5194/gmd-17-2419-2024.

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Item Permalink: https://hdl.handle.net/21.11116/0000-000F-2FB1-5 Version Permalink: https://hdl.handle.net/21.11116/0000-000F-2FB2-4
Genre: Journal Article

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https://gmd.copernicus.org/articles/17/2419/2024/gmd-17-2419-2024.pdf (Publisher version)
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 Creators:
Sander, Rolf1, Author           
Affiliations:
1Atmospheric Chemistry, Max Planck Institute for Chemistry, Max Planck Society, ou_1826285              

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 Abstract: The open-source software MEXPLORER 1.0.0 is presented here. The program can be used to analyze, reduce, and visualize complex chemical reaction mechanisms. The mathematics behind the tool is based on graph theory: chemical species are represented as vertices, and each reaction is described as a set of edges. MEXPLORER is a community tool published under the GNU General Public License.

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Language(s): eng - English
 Dates: 2024-03-25
 Publication Status: Published online
 Pages: 24
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.5194/gmd-17-2419-2024
 Degree: -

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Title: Geoscientific Model Development
  Other : Geosci. Model Dev.
  Abbreviation : GMD
Source Genre: Journal
 Creator(s):
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Publ. Info: -
Pages: - Volume / Issue: 17 (6) Sequence Number: - Start / End Page: 2419 - 2425 Identifier: ISSN: 1991-959X
CoNE: https://pure.mpg.de/cone/journals/resource/1991-959X