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  1. NázovElectron affinities of uracil: microsolvation effects and polarizable continuum model
    Aut.údajeMiroslav Melicherčík ... [et al.]
    Autor Melicherčík Miroslav 1984- (25%)
    Spoluautori Pašteka Lukáš Felix (25%)
    Neogrády Pavel (25%)
    Urban Miroslav (25%)
    Zdroj.dok. The Journal of Physical Chemistry A. Vol. 116, no. 9 (2012), pp. 2343-2351. - Washington : The American Chemical Society, 2012
    Kľúč.slová elektrónová afinita   uracil   solvatacia   electron affinities   solvation  
    Jazyk dok.angličtina
    KrajinaSpojené štáty
    Systematika 53
    Kategória publikačnej činnosti ADC
    Číslo archívnej kópie28559
    Kategória ohlasu CHOMICZ, Lidia - ZDROWOWICZ, Magdalena - KASPRZYKOWSKI, Franciszek et al. How to find out whether a 5-substituted uracil could be a potential DNA radiosensitizer. In Journal of physical chemistry letters. ISSN 1948-7185, 2013, vol. 4, no. 17, pp. 2853-2857.
    LI, Ping - WANG, Weihua - SUN, Qiao - LI, Zhen et al. Insights into the mechanism of the reaction between tetrachloro-p-benzoquinone and hydrogen peroxide and their implications in the catalytic role of water molecules in producing the hydroxyl radial. In Chemphyschem. ISSN 1439-4235, 2013, vol. 14, no. 12, pp. 2737-2743.
    LI, Ping - WANG, Weihua - BI, Siwei - SUN, Haitao. Theoretical studies on the interaction mechanisms between tetrachloro-p-benzoquinone and hydrogen peroxide. In Structural chemistry. ISSN 1040-0400, 2013, vol. 24, no. 4, pp. 1253-1264.
    GALVAO, Tiago L.P. - ROCHA, Ines M. - RIBEIRO DA SILVA, Maria D.M.C. - RIBEIRO DA SILVA, Manuel A.V. Is uracil aromatic? The Eethalpies of hydrogenation in the gaseous and crystalline phases, and in aqueous solution, as tools to obtain anaAnswer. In Journal of physical chemistry A. ISSN 1089-5639, 2013, vol. 117, no. 28, pp. 5826-5836.
    LI, Ping - WANG, Wei-hua - SUN, Hai-tao - BI, Si-wei. A DFT study on the electron affinity of tetrachloro-p-benzoquinone : toward to understanding its electron-accepting ability in solution. In Computational and theoretical chemistry. ISSN 2210-271X, 2013, vol. 1006, pp. 127-132.
    RACZYNSKA, Ewa D. Quantum-chemical studies of the consequences of one-electron oxidation and one-electron reduction for imidazole in the gas phase and water. In Computational and theoretical chemistry. ISSN 2210-271X, 2012, vol. 993, pp. 73-79.
    BACCHUS-MONTABONEL, Marie-Christine - CALVO, Florent. Nanohydration of uracil: emergence of three-dimensional structures and proton-induced charge transfer. In Physical chemistry chemical physics. ISSN 1463-9076, 2015, vol. 17, no. 15, pp. 9629-9633.
    GHOSH, Angsula - CHAUDHURI, Puspitapallab. NMR spin-spin coupling constants in microhydrated ortho-aminobenzoic acid. In Molecular physics. ISSN 0026-8976, 2015, vol. 113, no. 5, pp. 497-507.
    RAK, Janusz - CHOMICZ, Lidia - WICZK, Justyna et al. Mechanisms of damage to DNA labeled with electrophilic nucleobases induced by ionizing or UV radiation. In Journal of physical chemistry B. ISSN 1520-6106, 2015, vol. 119, no. 26, pp. 8227-8238.
    TAVAKOL, Hossein - KESHAVARZIPOUR, Fariba. A DFT study of inter- and intramolecular proton transfer in 2-selenobarbituric acid tautomers. In Structural chemistry. ISSN 1040-0400, 2015, vol. 26, no. 4, pp. 1049-1057.
    SAMUILOV, A. J. - ŠIŠKINA, N. N. - SAMUILOV, J. D. Gazofaznaja kislosnosť i osnovnosť linejnych associatov metanola. In Vestnik Kazanskogo technologičeskogo universiteta. ISSN 1998-7072, 2012, vol. 15, no. 23, pp. 13-15.
    GUO, Chao - WANG, Weihua - FENG, Wenling - LI, Ping. Insights into the one-electron reduction behavior of tetrachloro-o-benzoquinone: a DFT and molecular dynamics study. In RSC advances. ISSN 2046-2069, 2017, vol. 7, no. 21, pp. 12775-12782.
    LI, Ping - GUO, Chao - FENG, Wenling - SUN, Qiao - WANG, Weihua. A DFT study on the reaction mechanism between tetrachloro-o-benzoquinone and H2O2 and an alternative reaction approach to produce the hydroxyl radical. In RSC Aadvances. ISSN 2046-2069, 2017, vol. 7, no. 37, pp. 22919-22926.
    CORNETTA, L. M. - KOSSOSKI, F. - VARELLA, M. T. do N. Transient anion spectra of the potential radiosensitizers 5-cyanateuracil and 5-thiocyanateuracil. In Journal of chemical physics. ISSN 0021-9606, 2017, vol. 147, no. 21.
    HRIVNÁK, Tomáš - BUDZÁK, Šimon - REIS, Heribert - ZALESNÝ, Robert - CARBONNIERE, Philippe - MEDVEĎ, Miroslav. Electric properties of hydrated uracil : from micro - to macrohydration. In Journa of molecular liquids. ISSN 0167-7322, 2019, vol. 275, pp. 338-346.
    ZHANG, Yan - XIE, Peng - YANG, Songqiu - HAN, Keli. Ionization and electron attachment for nucleobases in water. In Journal of physical chemistry B. ISSN 1520-6106, 2019, vol. 123, no. 6, pp. 1237-1247.
    ZHANG, Jian - LI, Xiu. The effect of water-mediated catalysis on the intramolecular proton-transfer reactions of the isomers of 5-chlorouracil: a theoretical study. In Acta crystallographica section c-structural chemistry. ISSN 2053-2296, 2019, vol. 75, pp. 554-561.
    Katal.org.BB301 - Univerzitná knižnica Univerzity Mateja Bela v Banskej Bystrici
    Báza dátxpca - PUBLIKAČNÁ ČINNOSŤ
    OdkazyPERIODIKÁ-Súborný záznam periodika
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