Joined knowledge- and signal processing for infrared spectrum interpretation

Analytica Chimica Acta

Volumn 393, Issue 1-3, 1999, Pages 193-200

  Ehrentreich, F ^a  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

Author keywords

Computer supported structure elucidation; Infrared spectroscopy; Maximum common substructure; Partial cross correlation approach; Spectrum structure correlation

Indexed keywords

NAPHTHALENE DERIVATIVE;

CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; COMPUTER; CONFERENCE PAPER; INFORMATION PROCESSING; INFRARED SPECTROSCOPY; PRIORITY JOURNAL;

EID: 0032765432     PISSN: 00032670     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0003-2670(99)00286-X     Document Type: Conference Paper

References (30)

1. Luinge H.J. Vib. Spectrosc. 1:1990;3.
2. Robb E.W., Munk M.E. Mikrochim. Acta. 1:1990;131.
3. Munk M.E., Madison M.S., Robb E.W. J. Chem. Inf. Comput. Sci. 36:1996;231.
4. Fessenden R.J., Györgyi L. J. Chem. Soc. Perkin Trans. 2:1991;1755.
5. Meyer M., Meyer K., Hobert H. Anal. Chim. Acta. 282:1993;407.
6. Novic M., Zupan J. J. Chem. Inf. Comput. Sci. 35:1995;454.
7. Klawun C., Wilkins C.L. J. Chem. Inf. Comput. Sci. 36:1996;249.
8. Visser T., Luinge H.J., Maas J.H.v.d. Anal. Chim. Acta. 296:1994;141.
9. Cadisch M., Pretsch E. Fresenius J. Anal. Chem. 344:1992;173.
10. Gribov L.A., Elyashberg M.E., Moscovkina L.A. J. Mol. Struct. 9:1971;357.
11. M.E. Elyashberg, L.A. Gribov, V.V. Serov, Molecular spectral analysis and the computer (in Russia), Nauka, Moscow, 1980.
12. Elyashberg M.E., Martirosian E.R., Karasev Y.Z., Thiele H., Somberg H. Anal. Chim. Acta. 337:1997;265.
13. Serov V.V., Gribov L.A., Elyashberg M.E. J. Mol. Struct. 129:1985;183.
14. Ehrentreich F. Fresenius J. Anal. Chem. 357:1997;527.
15. G. Socrates, Infrared Characteristic Group Frequencies, 2nd (ed.), Wiley, Chichester, 1994.
16. E. Pretsch, J.T. Clerc, J. Seibl, W. Simon, Tabellen zur Strukturaufklärung organischer Verbindungen mit spektroskopischen Methoden, 3rd (ed.), Springer, Berlin, 1990.
17. D. Lin-Vien, N.B. Colthup, W.G. Fateley, J.G. Grasselli, The Handbook of Infrared and Raman Characteristic Frequencies of Organic Molecules, Academic Press, Boston, 1991.
18. C. Affolter, K. Baumann, J.T. Clerc, H. Schriber, E. Pretsch, Mikrochim. Acta. Suppl. (1997) 143.
19. Salzer R., Thiele S., Thomas H. Fres. J. Anal. Chem. 359:1997;126.
20. Varmuza K., Penchev P.N., Scsibrany H. J. Chem. Inf. Comput. Sci. 38:1998;420.
21. Ehrentreich F. Fresenius J. Anal. Chem. 359:1997;56.
22. SpecInfo, Chemical Concepts, Weinheim, FRG.
23. MDL Information Systems Inc., San Leandro, USA.
24. Scsibrany H., Varmuza K. Fresenius J. Anal. Chem. 344:1992;220.
25. Cone M.M., Venkataraghavan R., McLafferty F.W. J. Am. Chem. Soc. 99:1977;7668.
26. McGregor J.J., Willett P. J. Chem. Inf. Comput. Sci. 21:1981;137.
27. Chen L., Robien W. J. Chem. Inf. Comput. Sci. 32:1992;501.
28. Matlab 5.0, The Mathworks Inc., Natick, USA.
29. J. Zupan, Technical Report, BMBF-Project "Interpretation of infrared spectra", Ljubljana, Slovenia (1995).
30. H. Günzler, H. Böck, IR-Spektroskopie, 2nd (ed.), VCH, Weinheim, 1990, p. 47.