About: IR-UV double resonance spectroscopy of guanine-H2O clusters

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

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	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. (cs) 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. (en)
Title	IR-UV double resonance spectroscopy of guanine-H2O clusters IR-UV double resonance spectroscopy of guanine-H2O clusters (en) IČ-UV spektroskopie s dvojitou resonancí pro system guanin-voda (cs)
skos:prefLabel	IR-UV double resonance spectroscopy of guanine-H2O clusters IR-UV double resonance spectroscopy of guanine-H2O clusters (en) IČ-UV spektroskopie s dvojitou resonancí pro system guanin-voda (cs)
skos:notation	RIV/61388963:_____/05:00021192!RIV06-MSM-61388963
http://linked.open.../vavai/riv/strany	3015;3020
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/05/0009), P(KJB400550518), P(LC512), Z(AV0Z40550506)
http://linked.open...iv/cisloPeriodika	-
http://linked.open...vai/riv/dodaniDat	2006
http://linked.open...aciTvurceVysledku	Hobza, Pavel Kabeláč, Martin
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	525696
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/05:00021192
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	guanine; hydration; IR-UV spectroscopy (en)
http://linked.open.../riv/klicoveSlovo	guanine hydration IR-UV spectroscopy
http://linked.open...odStatuVydavatele	GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV	[193B3997797C]
http://linked.open...i/riv/nazevZdroje	Physical Chemistry Chemical Physics
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Structure and dynamics of DNA nitrogeneous bases, base pairs, oligonucleotides and their complexes with water, ions and drugs Influence of the Enviroment on the Stability and Geometry of DNA Building Blocks
http://linked.open...UplatneniVysledku	2005
http://linked.open...v/svazekPeriodika	7
http://linked.open...iv/tvurceVysledku	Hobza, Pavel Kabeláč, Martin Vries de, M. S. Abo-Riziq, A. Callahan, M. Crews, B. Grace, L.
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	6 (xsd:int)

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