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Projects / Programmes source: ARIS

Applicatios of chemometric methods in theoretical studies of chemical reactions

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Research activity

Code Science Field Subfield
1.04.02  Natural sciences and mathematics  Chemistry  Structural chemistry 

Code Science Field
P300  Natural sciences and mathematics  Analytical chemistry 
P351  Natural sciences and mathematics  Structure chemistry 
Keywords
chemical reactions, chemometrics, transformations, trajectories
Evaluation (rules)
source: COBISS
Evaluation of bibliographic research performance indicators according to ARIS methodology
Citations Citations for bibliographic records in COBIB.SI that are linked to records in citation databases
source: WoS source: Scopus source: COBISS
Researchers (1)
no. Code Name and surname Research area Role Period No. of publications
1.  11760  PhD Marko Perdih  Chemistry  Head  1999 - 2001  0 
Organisations (1)
no. Code Research organisation City Registration number No. of publications
1.  0104  National Institute of Chemistry  Ljubljana  5051592000  10 
Abstract
The proposed project has two main goals. One goal is to explore the applicability of chemometric methods like principal component analysis (PCA) and artificial neural networks in solving problems in theoretical studies of chemical reactions. The aim is to extend the use of these methods from spectroscopy and analytical chemistry to some branches of physical and organic chemistry. The other goal is to study new chemometric methods like 3D-PCA (a generalization of traditional PCA) applicable to studies of sets of objects, whose properties are presented with several time-dependent parameters.
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