FTIR and FT-Raman spectra and density functional computations of the vibrational spectra, molecular geometry and atomic charges of the biomolecule: 5-bromouracil
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388980%3A_____%2F07%3A00098550" target="_blank" >RIV/61388980:_____/07:00098550 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
FTIR and FT-Raman spectra and density functional computations of the vibrational spectra, molecular geometry and atomic charges of the biomolecule: 5-bromouracil
Original language description
FTIR and FT-Raman spectra of 5-bromouracil in the powder form were recorded in the region 400-4000 cm(-1) and 50-4000 cm(-1), respectively. The observed wavenumbers were analysed and assigned to different normal modes of vibration of the molecule. Quantum chemical calculations were performed to support the assignments of the observed wavenumbers.
Czech name
FTIR a FT-Raman spektra a DFT výpočty vibračních spekter, molekulární geometrie a atomových nábojů biomolekuly:5-brom-uracil
Czech description
FTIR a FT-Raman spektra 5-brom-uracilu byly změřeny v oblasti 400-4000 a 50-4000 cm(-1) a porovnány s DFT výpočty.
Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CA - Inorganic chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2007
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Raman Spectroscopy
ISSN
0377-0486
e-ISSN
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Volume of the periodical
38
Issue of the periodical within the volume
10
Country of publishing house
GB - UNITED KINGDOM
Number of pages
15
Pages from-to
1227-1241
UT code for WoS article
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EID of the result in the Scopus database
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