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Description
| - Here we present the comparison of simulations of wavenumber, intensity and bandwidth changes in VOA couplets and of classical bands analyzed by 2DCoS. This showed that Noda's rules are directly applicable to asynchronous part of 2DCoS but must be reversed for the synchronous part of 2DCoS. Thus, some of the spectral changes exhibit similar 2DCoS patterns which can be deduced from single band analogies. Nevertheless, other analogies may be misguided because several spectral events in VOA show similar patterns as very distant cases in classical bands. We also developed new data treatment of ROA spectral series based on principal component analysis (PCA). The core of the treatment lies in baseline corrections in PCA subspectra and subsequent usage of significant corrected subspectra for ROA data reconstruction. This removes spectral noise, background variations as well as unwanted distortions of the ROA baseline.
- Here we present the comparison of simulations of wavenumber, intensity and bandwidth changes in VOA couplets and of classical bands analyzed by 2DCoS. This showed that Noda's rules are directly applicable to asynchronous part of 2DCoS but must be reversed for the synchronous part of 2DCoS. Thus, some of the spectral changes exhibit similar 2DCoS patterns which can be deduced from single band analogies. Nevertheless, other analogies may be misguided because several spectral events in VOA show similar patterns as very distant cases in classical bands. We also developed new data treatment of ROA spectral series based on principal component analysis (PCA). The core of the treatment lies in baseline corrections in PCA subspectra and subsequent usage of significant corrected subspectra for ROA data reconstruction. This removes spectral noise, background variations as well as unwanted distortions of the ROA baseline. (en)
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Title
| - Two-dimensional correlation analysis of Raman optical activity - Basic rules and data treatment
- Two-dimensional correlation analysis of Raman optical activity - Basic rules and data treatment (en)
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skos:prefLabel
| - Two-dimensional correlation analysis of Raman optical activity - Basic rules and data treatment
- Two-dimensional correlation analysis of Raman optical activity - Basic rules and data treatment (en)
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skos:notation
| - RIV/00216208:11320/12:10099149!RIV13-GA0-11320___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GAP205/10/1276), P(GP202/06/P208), Z(MSM0021620835)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/00216208:11320/12:10099149
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - data treatment; Noda's rules; principal component analysis; two-dimensional correlation spectroscopy; vibrational optical activity; Raman optical activity (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Kopecký, Vladimír
- Pazderka, Tomáš
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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http://bibframe.org/vocab/doi
| - 10.1016/j.vibspec.2011.10.002
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http://localhost/t...ganizacniJednotka
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