IR-UV double resonance spectroscopy of guanine-H2O clusters

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F05%3A00021192" target="_blank" >RIV/61388963:_____/05:00021192 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Result language
angličtina
Original language name
IR-UV double resonance spectroscopy of guanine-H2O clusters
Original language 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.
Czech name
IČ-UV spektroskopie s dvojitou resonancí pro system guanin-voda
Czech 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 tautomeryguaninu v enol formě a 1 ketoamino formě.

Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2005
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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