| Attributes | Values |
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| rdf:type
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| Description
| - Reparametrizace a/nebo stanovení Hammettových, inductivních, mesomerních a AISE substitučních konstant pro pět substituentů: N+(CH3)3, CH2N+(CH3)3, CH2Py+, CH2SO2CH3 a PO(OCH3)2 (cs)
- Ten meta- and para- substituted benzoic acids with substituents N+(CH3)3, CH2N+(CH3)3, CH2Py+, CH2SO2CH3 and PO(OCH3)2 were synthesized. Dissociation constants of these acids were determined in five solvents (water, ethanol, methanol, N,N-dimethylformamide, dimethyl sulfoxide) at 25 °C. Dissociation constants of benzoic acid derivatives with other substituents H, CH3, NHCOCH3, OCH3, F, Cl, Br, I, COCH3, CN, NO2, SO2CH3 were taken from the literature (calibration set). Substituent constants sm, sp, sI, sR and si for substituents N+(CH3)3, CH2N+(CH3)3, CH2Py+, CH2SO2CH3 and PO(OCH3)2 were calculated by nonlinear and PLS (partial least-square method with latent variables) calibration in three correlation models using the calibration set. Nonlinear regression appears more suitable and more universal than PLS calibration. The advantage of nonlinear regression is its independence on possibly missing data in the given solvent, evaluation of precision (standard deviation), the accessibility of necessary softw
- Ten meta- and para- substituted benzoic acids with substituents N+(CH3)3, CH2N+(CH3)3, CH2Py+, CH2SO2CH3 and PO(OCH3)2 were synthesized. Dissociation constants of these acids were determined in five solvents (water, ethanol, methanol, N,N-dimethylformamide, dimethyl sulfoxide) at 25 °C. Dissociation constants of benzoic acid derivatives with other substituents H, CH3, NHCOCH3, OCH3, F, Cl, Br, I, COCH3, CN, NO2, SO2CH3 were taken from the literature (calibration set). Substituent constants sm, sp, sI, sR and si for substituents N+(CH3)3, CH2N+(CH3)3, CH2Py+, CH2SO2CH3 and PO(OCH3)2 were calculated by nonlinear and PLS (partial least-square method with latent variables) calibration in three correlation models using the calibration set. Nonlinear regression appears more suitable and more universal than PLS calibration. The advantage of nonlinear regression is its independence on possibly missing data in the given solvent, evaluation of precision (standard deviation), the accessibility of necessary softw (en)
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| Title
| - Reparametrization and/or determination of Hammett, Inductive, Mesomeric and AISE substituent constants for five substituents
- Reparametrization and/or determination of Hammett, Inductive, Mesomeric and AISE substituent constants for five substituents (en)
- Reparametrizace a/nebo stanovení Hammettových, inductivních, mesomerních a AISE substitučních konstant pro pět substituentů: N+(CH3)3, CH2N+(CH3)3, CH2Py+, CH2SO2CH3 a PO(OCH3)2 (cs)
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| skos:prefLabel
| - Reparametrization and/or determination of Hammett, Inductive, Mesomeric and AISE substituent constants for five substituents
- Reparametrization and/or determination of Hammett, Inductive, Mesomeric and AISE substituent constants for five substituents (en)
- Reparametrizace a/nebo stanovení Hammettových, inductivních, mesomerních a AISE substitučních konstant pro pět substituentů: N+(CH3)3, CH2N+(CH3)3, CH2Py+, CH2SO2CH3 a PO(OCH3)2 (cs)
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| skos:notation
| - RIV/60461373:22310/04:00012343!RIV/2005/GA0/223105/N
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| http://linked.open.../vavai/riv/strany
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| http://linked.open...avai/riv/aktivita
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| http://linked.open...avai/riv/aktivity
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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/60461373:22310/04:00012343
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| http://linked.open...riv/jazykVysledku
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| http://linked.open.../riv/klicovaSlova
| - Dissociation constants;Benzoic acid;Substituent effects;Hammett equation;AISE (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
| - Collection of Czechoslovak Chemical Communications
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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
| - Cibulka, Radek
- Pytela, O.
- Liška, František
- Pícha, Jan
- Pařík, P.
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| issn
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| number of pages
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| http://localhost/t...ganizacniJednotka
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