Normal modes for chemical reactions from time series analysis

Citation
E. Mihaliuk et al., Normal modes for chemical reactions from time series analysis, J PHYS CH A, 103(41), 1999, pp. 8246-8251
Citations number
21
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
103
Issue
41
Year of publication
1999
Pages
8246 - 8251
Database
ISI
SICI code
1089-5639(19991014)103:41<8246:NMFCRF>2.0.ZU;2-L
Abstract
A method is presented for probing chemical reaction mechanisms experimental ly with perturbations and measurements of the response. Time series analysi s and the methods of linear control theory are used to determine the Jacobi an matrix of a reaction at a stable stationary state subjected to random pe rturbations. The method is demonstrated with time series of a model system, and its performance in the presence of noise is examined.