COMPUTER CONSTRUCTION OF CHEMICAL REACTION MECHANISMS

Authors

  • B.V. Alexeev
  • N.I. Koltsov
  • F.J. Keil

DOI:

https://doi.org/10.1515/hjic-2001-15

Keywords:

chemical reaction, reaction mechanism, algorithm, intermidiate substances, Maple progrrun

Abstract

A computer program was developed which permits the design of all possible mechanisms of a certain class of chemical reactions proceeding according to a step scheme via intermediate components and a brutto-reaction. The application of the program for concrete reactions is described.

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Published

2001-10-15

How to Cite

Alexeev, B., Koltsov, N., & Keil, F. (2001). COMPUTER CONSTRUCTION OF CHEMICAL REACTION MECHANISMS. Hungarian Journal of Industry and Chemistry, 29(2), 81–86. https://doi.org/10.1515/hjic-2001-15

Issue

Vol 29, No 2 (2001): Hungarian Journal of Industrial Chemistry

Section

Articles