About: Solvation of the azide anion (N3-) in water clusters and aqueous interfaces: A combined investigation by photoelectron spectroscopy, density functional calculations and molecular dynamics simulations

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About: Solvation of the azide anion (N3-) in water clusters and aqueous interfaces: A combined investigation by photoelectron spectroscopy, density functional calculations and molecular dynamics simulations Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Prezentujeme fotoelektronovou spektroskopii a výpočetní studii hydratovaných klastrů s N3- aniontem N3-(H2O)n (n=0-16) v plynné fázi. Bylo pozorováno, že fotoelektronová spektra mají jediný pík, podobný jako izolovaný N3-, ale bylo pozorováno, že spektrální šířka se zvětšuje s rostoucí velikostí klastru díky relaxaci rozpouštědla po odtržení elektronu (cs) We report a photoelectron spectroscopy and computational study of hydrated N3- anion clusters, N3-(H2O)n (n=0-16), in the gas phase. Photoelectron spectra of the solvated azide anions were observed to consist of a single peak, similar to that of the bare N3-, but the spectral width was observed to broaden as a function of cluster size due to solvent relaxation upon electron detachment We report a photoelectron spectroscopy and computational study of hydrated N3- anion clusters, N3-(H2O)n (n=0-16), in the gas phase. Photoelectron spectra of the solvated azide anions were observed to consist of a single peak, similar to that of the bare N3-, but the spectral width was observed to broaden as a function of cluster size due to solvent relaxation upon electron detachment (en)
Title	Solvation of the azide anion (N3-) in water clusters and aqueous interfaces: A combined investigation by photoelectron spectroscopy, density functional calculations and molecular dynamics simulations Solvatace azidového aniontu (N3-) ve vodných klastrech a na vodných površích: Kombinovaná studie pomocí fotoelektronové spektroskopie, výpočtů s funcionálem hustoty a simulací molekulové dynamiky (cs) Solvation of the azide anion (N3-) in water clusters and aqueous interfaces: A combined investigation by photoelectron spectroscopy, density functional calculations and molecular dynamics simulations (en)
skos:prefLabel	Solvation of the azide anion (N3-) in water clusters and aqueous interfaces: A combined investigation by photoelectron spectroscopy, density functional calculations and molecular dynamics simulations Solvatace azidového aniontu (N3-) ve vodných klastrech a na vodných površích: Kombinovaná studie pomocí fotoelektronové spektroskopie, výpočtů s funcionálem hustoty a simulací molekulové dynamiky (cs) Solvation of the azide anion (N3-) in water clusters and aqueous interfaces: A combined investigation by photoelectron spectroscopy, density functional calculations and molecular dynamics simulations (en)
skos:notation	RIV/61388963:_____/04:00100868!RIV/2005/MSM/A57005/N
http://linked.open.../vavai/riv/strany	7820;7826
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(ME 644), Z(AV0Z4055905)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2005
http://linked.open...aciTvurceVysledku	Jungwirth, 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	586944
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/04:00100868
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	azide;photoelectron spectroscopy;molecular dynamics (en)
http://linked.open.../riv/klicoveSlovo	azide photoelectron spectroscopy molecular dynamics
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[5ABAD6D9C7D4]
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	http://linked.opendata.cz/resource/domain/vavai/projekt/ME%20644
http://linked.open...UplatneniVysledku	2004
http://linked.open...v/svazekPeriodika	108
http://linked.open...iv/tvurceVysledku	Jungwirth, Pavel Mucha, M. Yang, X. Wang, L. S. Wang, X. B. Kiran, B.
http://linked.open...n/vavai/riv/zamer	Chemical principles of selected biological phenomena in medicine and ecology
issn	1089-5639
number of pages	7 (xsd:int)

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