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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F05%3A00021192%21RIV06-MSM-61388963
rdf:type
skos:Concept n16:Vysledek
dcterms:description
We present the IR-UV double resonance spectrum of guanine monohydrate in the region 3100 cm=1 to 3800 Cm=1 along with the energies and frequencies of these structures calculated at the non-empirical correlated ab initio RI-MP2/cc-pVDZ level. We assign the structures of guanine–water clusters by comparing the experimental spectra with the ab initio calculations and with the IR spectra of the bare guanine monomer. We find two clusters with guanine in the enol-amino tautomeric form and one structure with guanine in the ketoamino form. We present the IR-UV double resonance spectrum of guanine monohydrate in the region 3100 cm=1 to 3800 Cm=1 along with the energies and frequencies of these structures calculated at the non-empirical correlated ab initio RI-MP2/cc-pVDZ level. We assign the structures of guanine–water clusters by comparing the experimental spectra with the ab initio calculations and with the IR spectra of the bare guanine monomer. We find two clusters with guanine in the enol-amino tautomeric form and one structure with guanine in the ketoamino form. Byla změřena IČ-UV spectra pro system guanin-voda v rozsahu 3100-3800 cm-1. Pro danou oblast byla rovněž vypočtena harmonická vibrační spectra na ab initio úrovni, která umožnila přiřadit jednotlivé vibrační módy. Byly nalezeny 2 monohyratované tautomery guaninu v enol formě a 1 ketoamino formě.
dcterms:title
IR-UV double resonance spectroscopy of guanine-H2O clusters IR-UV double resonance spectroscopy of guanine-H2O clusters IČ-UV spektroskopie s dvojitou resonancí pro system guanin-voda
skos:prefLabel
IR-UV double resonance spectroscopy of guanine-H2O clusters IR-UV double resonance spectroscopy of guanine-H2O clusters IČ-UV spektroskopie s dvojitou resonancí pro system guanin-voda
skos:notation
RIV/61388963:_____/05:00021192!RIV06-MSM-61388963
n4:strany
3015;3020
n4:aktivita
n10:Z n10:P
n4:aktivity
P(GA203/05/0009), P(KJB400550518), P(LC512), Z(AV0Z40550506)
n4:cisloPeriodika
-
n4:dodaniDat
n7:2006
n4:domaciTvurceVysledku
n12:1890646 n12:2932016
n4:druhVysledku
n14:J
n4:duvernostUdaju
n8:S
n4:entitaPredkladatele
n17:predkladatel
n4:idSjednocenehoVysledku
525696
n4:idVysledku
RIV/61388963:_____/05:00021192
n4:jazykVysledku
n15:eng
n4:klicovaSlova
guanine; hydration; IR-UV spectroscopy
n4:klicoveSlovo
n5:guanine n5:hydration n5:IR-UV%20spectroscopy
n4:kodStatuVydavatele
GB - Spojené království Velké Británie a Severního Irska
n4:kontrolniKodProRIV
[193B3997797C]
n4:nazevZdroje
Physical Chemistry Chemical Physics
n4:obor
n18:CF
n4:pocetDomacichTvurcuVysledku
2
n4:pocetTvurcuVysledku
7
n4:projekt
n9:KJB400550518 n9:GA203%2F05%2F0009 n9:LC512
n4:rokUplatneniVysledku
n7:2005
n4:svazekPeriodika
7
n4:tvurceVysledku
Hobza, Pavel Grace, L. Abo-Riziq, A. Crews, B. Kabeláč, Martin Vries de, M. S. Callahan, M.
n4:zamer
n11:AV0Z40550506
s:issn
1463-9076
s:numberOfPages
6