About: Quantitative evaluation of resonance interaction: monosubstituted 1,3-butadienes

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	x (cs) Relative previous termresonancenext term energy of various groups X was expressed as the reaction energy of the isodesmic homodesmotic reaction in which this group is transferred from an aliphatic compound, 1-substituted butane or pentane, to 1-substituted butadiene or benzene. Energies of 18 (E)-1-substituted previous term1,3-butadienesnext term with ap or sp conformation on the central bond, and of the same number of substituted benzenes were calculated within the framework of the density functional theory at the level B3LYP/6-311+G(d,p). The reaction energies are very similar for all reaction series; in the case of ap-butadienes the reaction energy can be suggested as the most trustworthy standard scale of the substituent conjugative power (previous termresonance)next term. This scale differ significantly from the traditional scales of previous termresonancenext term effects, ?R, Click to view the MathML source or Click to view the MathML source, derived essentially from acid#base equilibria; the r Relative previous termresonancenext term energy of various groups X was expressed as the reaction energy of the isodesmic homodesmotic reaction in which this group is transferred from an aliphatic compound, 1-substituted butane or pentane, to 1-substituted butadiene or benzene. Energies of 18 (E)-1-substituted previous term1,3-butadienesnext term with ap or sp conformation on the central bond, and of the same number of substituted benzenes were calculated within the framework of the density functional theory at the level B3LYP/6-311+G(d,p). The reaction energies are very similar for all reaction series; in the case of ap-butadienes the reaction energy can be suggested as the most trustworthy standard scale of the substituent conjugative power (previous termresonance)next term. This scale differ significantly from the traditional scales of previous termresonancenext term effects, ?R, Click to view the MathML source or Click to view the MathML source, derived essentially from acid#base equilibria; the r (en)
Title	Quantitative evaluation of resonance interaction: monosubstituted 1,3-butadienes Quantitative evaluation of resonance interaction: monosubstituted 1,3-butadienes (en) Quantitative evaluation of resonance interaction: monosubstituted 1,3-butadienes (cs)
skos:prefLabel	Quantitative evaluation of resonance interaction: monosubstituted 1,3-butadienes Quantitative evaluation of resonance interaction: monosubstituted 1,3-butadienes (en) Quantitative evaluation of resonance interaction: monosubstituted 1,3-butadienes (cs)
skos:notation	RIV/60461373:22310/05:00013520!RIV06-MSM-22310___
http://linked.open.../vavai/riv/strany	125-131
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(MSM6046137301)
http://linked.open...iv/cisloPeriodika	1-3
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Böhm, Stanislav
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	Vysoká škola chemicko-technologická v Praze / Fakulta chemické technologie
http://linked.open...dnocenehoVysledku	539830
http://linked.open...ai/riv/idVysledku	RIV/60461373:22310/05:00013520
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Benzene derivatives; Butadiene derivatives; Density functional theory; Isodesmic reaction; previous termResonancenext term; Substituent effect (en)
http://linked.open.../riv/klicoveSlovo	Substituent effect Density functional theory Benzene derivatives Butadiene derivatives previous termResonancenext term Isodesmic reaction
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[0363C38AAEB1]
http://linked.open...i/riv/nazevZdroje	Journal of Molecular Structure
http://linked.open...in/vavai/riv/obor	CC
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	2 (xsd:int)
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	722
http://linked.open...iv/tvurceVysledku	Böhm, Stanislav Exner, Otto
http://linked.open...n/vavai/riv/zamer	Catalytic processes in chemistry and chemical technology
issn	0022-2860
number of pages	7 (xsd:int)
http://localhost/t...ganizacniJednotka	22310

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