About: Electron Delocalization and Aromacity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Aromaticita lineárních polyacenů byla studována pomocí šesticentrického vazebného indexu (AIM-SCI). Hodnoty tohoto indexu naznačují, že aromaticita klesá při přechodu od vnějších k vnitřním benzenovým jádrům. Výsledky jsou srovnávány se závěry obdobného přístupu využívajícího Muillikenovské aproximace a s indexem PDI. (cs) Molecular aromaticity in the linear polyacenes is investigated using an Atoms-In-Molecules based Six Center Index (SCI-AIM) which measures the electron delocalization. SCI-AIM values for the linear polyacenes indicate decreasing aromaticity going from outer to inner rings in the polyacene series. The SCI-AIM approach is compared to a Mulliken like approach and a critical comparison to the PDI index is made. Molecular aromaticity in the linear polyacenes is investigated using an Atoms-In-Molecules based Six Center Index (SCI-AIM) which measures the electron delocalization. SCI-AIM values for the linear polyacenes indicate decreasing aromaticity going from outer to inner rings in the polyacene series. The SCI-AIM approach is compared to a Mulliken like approach and a critical comparison to the PDI index is made. (en)
Title	Electron Delocalization and Aromacity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index Electron Delocalization and Aromacity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index (en) Elektronova delokalizace a aromaticita v linearnich polyacenech. AIM multicenricky delokalizacni index (cs)
skos:prefLabel	Electron Delocalization and Aromacity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index Electron Delocalization and Aromacity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index (en) Elektronova delokalizace a aromaticita v linearnich polyacenech. AIM multicenricky delokalizacni index (cs)
skos:notation	RIV/67985858:_____/06:00055014!RIV07-AV0-67985858
http://linked.open.../vavai/riv/strany	7642;7648
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(IAA4072403), Z(AV0Z40720504)
http://linked.open...iv/cisloPeriodika	24
http://linked.open...vai/riv/dodaniDat	2007
http://linked.open...aciTvurceVysledku	Ponec, Robert
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 chemických procesů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	473798
http://linked.open...ai/riv/idVysledku	RIV/67985858:_____/06:00055014
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	aromaticity; aim multicenter bond indices; sci (en)
http://linked.open.../riv/klicoveSlovo	aromaticity sci aim multicenter bond indices
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[05057FAA61CC]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry. A
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Chemical structures from the analysis of pair density and related quantities
http://linked.open...UplatneniVysledku	2006
http://linked.open...v/svazekPeriodika	110
http://linked.open...iv/tvurceVysledku	Ponec, Robert Bultinck, P. Carbó-Dorca, R. Popelier, P. Rafat, M. Van Gheluwe, B.
http://linked.open...n/vavai/riv/zamer	Investigation of multiphase reacting systems for the design of processes important in synthesis and preparation of novel materials, in energy production and in environmental protection
issn	1089-5639
number of pages	7 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Electron Delocalization and Aromacity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index Electron Delocalization and Aromacity in Linear Polyacenes: Atoms in Molecules Multicenter Delocalization Index

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