Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part. 4. Uracil and thymine

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F05%3A00021230" target="_blank" >RIV/61388963:_____/05:00021230 - 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
Correlated ab initio study of nucleic acid bases and their tautomers in the gas phase, in a microhydrated environment and in aqueous solution. Part. 4. Uracil and thymine
Original language description
Keto and enol tautomers of thymine and uracil were studied theoretically in the gas phase, in a microhydrated environment and in a water environment. Solvation effects were described using the thermodynamic integration method, Conductor-like polarizablecontinuum model (C-PCM) and hybrid model (C-PCM + explicit water molecules). A short experimental detection of tautomers by means of steady-state fluorescence was also included.
Czech name
Báze nukleových kyselin a jejich tautomery v plynné fázi, mikrohydratovaném prostředí a ve vodném roztoku - korelovaná ab initio studie. Část čtvrtá. Uracil a thymin
Czech description
Keto a enol tautomery thyminu a uracilu byly teoreticky studovány v plynné fázi, v mikrohydratovaném prostředí a ve vodném roztoku. Solvatace byla popsána pomocí metod: termodynamická integrace, Conductor-like polarizable continuum model (C-PCM) a hybridního modelu (metoda C-PCM + explicitní molekuly vody). Byla provedena experimentální detekce tautomerů pomocí steady-state fluorescence.

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
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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