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Monitoring of molecular transformations in acid-base reactions by evolving factor analysis of Fourier transform infrared spectra data

Title
Monitoring of molecular transformations in acid-base reactions by evolving factor analysis of Fourier transform infrared spectra data
Type
Article in International Scientific Journal
Year
1996
Authors
daSilva, JCG
(Author)
FCUP
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Machado, AASC
(Author)
Other
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Oliveira, CJS
(Author)
Other
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Journal
Title: TalantaImported from Authenticus Search for Journal Publications
Vol. 43
Pages: 1443-1456
ISSN: 0039-9140
Publisher: Elsevier
Scientific classification
FOS: Natural sciences > Chemical sciences
Other information
Authenticus ID: P-001-DTG
Abstract (EN): An evolving factor analysis procedure with concentration constraints (gradient concentration window) was applied to the analysis of data sets of aqueous Fourier transform infrared (FT-IR) spectra of carboxylic acids (acetic, malonic and succinic acids) collected in experiments with varying pH. Besides the calculation of the number of acid-base systems, this procedure allowed the calculation of the FT-IR spectra of the acid-base species present in equilibrium as well as the corresponding pK(a) values.
Language: English
Type (Professor's evaluation): Scientific
No. of pages: 14
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