About: Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Metoda duálních substitučních parametrů (DSP) byla revidována na reakcích s reakčním centrem charakteru donoru, jako je bazicita a acidita substituovaných anilinů a acidita substituovaných fenolů. Substituční efekty byly vypočteny metodou DFT separátně v nenabitých molekulách a v iontech. DSP platí pro acidity a pro neutrální molekuly jen s akceptorovými substituenty; donorové substituenty nemohou být charakterizovány pomocí rezonančních konstant. Doporučuje se užíval DSP jen pro akcetporové substituenty při donorovém reakčním centru a naopak, jinak se přesnost povážlivě snižuje. (cs) The Dual-Substituent-Parameter (DSP) treatment was reexamined on reactions with a donor reaction centre: basicity and acidity of 4-substituted anilines and acidity of 4-substituted phenols. The substituent effects were calculated by the DFT method separately in uncharged molecules and in the ions. DSP is valid for the acidities and for neutral molecules only with acceptor substituents; donor substituents cannot be characterized by resonance constants. It is recommended to use DSP only to acceptor substituents with a donor reaction centre or vice versa; otherwise the accuracy is much lowered. The Dual-Substituent-Parameter (DSP) treatment was reexamined on reactions with a donor reaction centre: basicity and acidity of 4-substituted anilines and acidity of 4-substituted phenols. The substituent effects were calculated by the DFT method separately in uncharged molecules and in the ions. DSP is valid for the acidities and for neutral molecules only with acceptor substituents; donor substituents cannot be characterized by resonance constants. It is recommended to use DSP only to acceptor substituents with a donor reaction centre or vice versa; otherwise the accuracy is much lowered. (en)
Title	Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre Revize metody duálních substitučních parametrů: reakční serie s reakčním centrem charakteru donoru (cs) Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre (en)
skos:prefLabel	Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre Revize metody duálních substitučních parametrů: reakční serie s reakčním centrem charakteru donoru (cs) Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre (en)
skos:notation	RIV/61388963:_____/07:00087621!RIV08-AV0-61388963
http://linked.open.../vavai/riv/strany	1158;1176
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z40550506), Z(MSM6046137301)
http://linked.open...iv/cisloPeriodika	8
http://linked.open...vai/riv/dodaniDat	2008
http://linked.open...aciTvurceVysledku	Exner, Otto
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	447714
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/07:00087621
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	aniline derivatives; isodesmic reactions; phenol derivatives; basicity; acidity (en)
http://linked.open.../riv/klicoveSlovo	acidity phenol derivatives isodesmic reactions aniline derivatives basicity
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[CFD3A0294E4E]
http://linked.open...i/riv/nazevZdroje	Collection of Czechoslovak Chemical Communications
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...UplatneniVysledku	2007
http://linked.open...v/svazekPeriodika	72
http://linked.open...iv/tvurceVysledku	Exner, Otto Böhm, S.
http://linked.open...n/vavai/riv/zamer	Catalytic processes in chemistry and chemical technology Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	0010-0765
number of pages	9 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre Revision of the dual-substituent-parameter treatment ; reaction series with a donor reaction centre

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