Automatic comparison of thermodynamic data for species in detailed chemical kinetic modelling

JOHN SIMMIE

doi:10.1002/kin.20085

Automatic comparison of thermodynamic data for species in detailed chemical kinetic modelling

JOHN SIMMIE

Cellular & Molecular Medicine

University of Galway

Research output: Contribution to a Journal (Peer & Non Peer) › Article › peer-review

5 Citations (Scopus)

Abstract

This article describes the performance of an automatic comparator of thermochemical databases and demonstrates the use of a hypertext preprocessor to link chemical names with a three-dimensional molecular viewer thus providing an unambiguous identification of species in a facile manner over the Internet. COPY; 2005 Wiley Periodicals, Inc.

Original language	English (Ireland)
Pages (from-to)	341-345
Number of pages	5
Journal	International Journal Of Chemical Kinetics
Volume	37
Issue number	6
DOIs	https://doi.org/10.1002/kin.20085
Publication status	Published - 1 May 2005

Authors (Note for portal: view the doc link for the full list of authors)

Authors
Simmie, J.M., Roll, S., Ryder, E.
Simmie, JM;Rolland, S;Ryder, E

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10.1002/kin.20085

Cite this

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Automatic comparison of thermodynamic data for species in detailed chemical kinetic modelling

Abstract

Authors (Note for portal: view the doc link for the full list of authors)

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