On one method of parameter estimation in chemical kinetics using spectra with unknown spectral components

Kinetics and Catalysis

Volumn 45, Issue 4, 2004, Pages 455-466

  Rodionova, O E ^a   Pomerantsev, A L ^a  

^a SEMENOV INSTITUTE OF CHEMICAL PHYSICS   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BENZOQUINONE DERIVATIVE;

ARTICLE; CALIBRATION; CHEMICAL REACTION; COMPUTER PROGRAM; INFRARED SPECTROSCOPY; KINETICS; MOLECULAR MODEL; NONLINEAR REGRESSION ANALYSIS; SPECTROSCOPY;

EID: 4444317260     PISSN: 00231584     EISSN: None     Source Type: Journal    
DOI: 10.1023/B:KICA.0000038071.51067.d5     Document Type: Article

References (25)

1. Lavrent'ev, M.M., Kraeva, A.G., and Bukhgeim, A.V., Obratnaya zadacha khimicheskoi kinetiki (Parameter Estimation in Chemical Kinetics), Novosibirsk: Computer Center, Siberian Division, USSR Acad. Sci., 1980.
2. Spivak, S.I. and Gorskii, V.G., Dokl. Akad. Nauk SSSR, 1981, vol. 257, no. 2, p. 412.
3. Primenenie vychislitel'noi matematiki v khimicheskoi i fizicheskoi kinetike (Applications of Computational Techniques in Chemical and Physical Kinetics) Polak, L.S., Ed., Moscow: Nauka, 1969.
4. Pavlov, B.V. and Brin, E.F., Khim. Fiz., 1984, vol. 3, no. 3, p. 393.
5. Haario, H. and Taavitsainen, V.-M., Chemometrics Intell. Lab. Syst., 1998, vol. 44, p. 77.
6. Bijlsma, S., Louwerse, D.J., Windig, W., and Smilde, A.K., Anal. Chim. Acta., 1998, vol. 376, p. 339.
7. Bijlsma, S., Louwerse, D.J., and Smilde, A.K., J. Chemometrics, 1999, vol. 13, p. 311.
8. Brin, E.F. and Pomerantsev, A.L., Khim. Fiz., 1986, vol. 5, no. 12, p. 1674.
9. Maksimova, G.A. and Pomerantsev, A.L., Zavod. Lab., 1995, vol. 61, p. 432.
10. Pomerantsev, A.L., Chemometrics Intell. Lab. Syst., 2003, vol. 66, no. 2, p. 127.
11. Fitter Solutions, http://polycert.chph.ras.ru/solution.htm.
12. Bard, Y., Nonlinear Parameter Estimation, New York: Academic.
13. Bystritskaya, E.V., Pomerantsev, A.L., and Rodionova, O.Ye., J. Chemometrics, 2000, vol. 14, p. 667.
14. Pomerantsev, A.L., Chemometrics Intell. Lab. Syst., 1999, vol. 49, p. 41.
15. Bijlsma, S. and Smilde, A.K., J. Chemometrics, 2000, vol. 14, p. 541.
16. Datasets, http://www.its.chem.uva.nl/research/pac.
17. Savitzky, A. and Golay, M.J.E., Anal. Chem., 1964, vol. 36, p. 1627.
18. Marquardt, D.W., SIAM J., 1963, vol. 11, p. 431.
19. Levenberg, K., Quart. Appl. Math., 1944, vol. 2, p. 164.
20. Lawton, W.H. and Sylvestre, E.A., Technometrics, 1971, vol. 13, p. 617.
21. Wilson, B., Sanchez, E., and Kowalski, B.R., J. Chemometrics, 1989, vol. 3, p. 493.
22. Harshman, R.A. and Lundy, M.E., Comp. Stat. Data Anal., 1994, vol. 18, p. 39.
23. Rajko, R., Anal. Lett., 1994, vol. 27, no. 1, p. 27.
24. Pomerantsev, A.L. and Rodionova, O.E., Nadstroika FITTER (FITTER Add-in), reg. no. 2002611562, 2002.
25. Fitter Add-in, http://polycert.chph.ras.ru/fitter.htm.