About: Competition between stacking and hydrogen bonding: theoretical study of the phenol...Ar cation and neutral complex and comparison to experiment

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About: Competition between stacking and hydrogen bonding: theoretical study of the phenol...Ar cation and neutral complex and comparison to experiment Goto Sponge NotDistinct Permalink

An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Dříve ziskané pokusné hodnoty pro strukturu vdW a strukturu s vodíkovou vazbou komplexu fenol...Ar v jejich S0 a D0 stavech byly kombinovány s ab initio kvantově chemickými výsledky. Tato kombinace dovoluje učinit kompletní popis komplexu včetně geometrie, relativní energie, interakční energie a interakční entalpie. (cs) Experimental results obtained previously for vdW-bonded and H-bonded phenol...argon (PhOH...Ar) complexes in their S0 and D0 states are combined with ab initio quantum-chemical theoretical results. Such a combination allows us to present a %22complete%22 description of the geometry, relative energies, interaction energies and enthalpies of PhOH...Ar complexes. Experimental results obtained previously for vdW-bonded and H-bonded phenol...argon (PhOH...Ar) complexes in their S0 and D0 states are combined with ab initio quantum-chemical theoretical results. Such a combination allows us to present a %22complete%22 description of the geometry, relative energies, interaction energies and enthalpies of PhOH...Ar complexes. (en)
Title	Competition between stacking and hydrogen bonding: theoretical study of the phenol...Ar cation and neutral complex and comparison to experiment Competition between stacking and hydrogen bonding: theoretical study of the phenol...Ar cation and neutral complex and comparison to experiment (en) Konkurence mezi patrovými interakcemi a vodíkovou vazbou: teoretická studie komplexu fenol...Ar kation radikál a neutrálního komplexu a srovnání s experimentem (cs)
skos:prefLabel	Competition between stacking and hydrogen bonding: theoretical study of the phenol...Ar cation and neutral complex and comparison to experiment Competition between stacking and hydrogen bonding: theoretical study of the phenol...Ar cation and neutral complex and comparison to experiment (en) Konkurence mezi patrovými interakcemi a vodíkovou vazbou: teoretická studie komplexu fenol...Ar kation radikál a neutrálního komplexu a srovnání s experimentem (cs)
skos:notation	RIV/61388963:_____/08:00315811!RIV09-AV0-61388963
http://linked.open...avai/riv/aktivita	Z
http://linked.open...avai/riv/aktivity	Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	19
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Hobza, Pavel
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	360737
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/08:00315811
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	stacking; hydrogen bonding; phenol...Ar (en)
http://linked.open.../riv/klicoveSlovo	stacking hydrogen bonding phenol...Ar
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[0A3659214C47]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...UplatneniVysledku	2008
http://linked.open...v/svazekPeriodika	10
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Černý, J. Müller-Dethlefs, K. Tong, X.
http://linked.open...ain/vavai/riv/wos	000255739200022
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství
issn	1463-9076
number of pages	5 (xsd:int)

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