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Improta, Roberto, Barone, Vincenzo (2004) Absorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution:  A TD-DFT Quantum Mechanical Study. Journal Of The American Chemical Society, 126 (44) 14320-14321 doi:10.1021/ja0460561

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Reference TypeJournal (article/letter/editorial)
TitleAbsorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution:  A TD-DFT Quantum Mechanical Study
JournalJournal Of The American Chemical Society
AuthorsImprota, RobertoAuthor
Barone, VincenzoAuthor
Year2004 (November)Volume126
Issue44
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja0460561Search in ResearchGate
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Mindat Ref. ID1638962Long-form Identifiermindat:1:5:1638962:9
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Full ReferenceImprota, Roberto, Barone, Vincenzo (2004) Absorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution:  A TD-DFT Quantum Mechanical Study. Journal Of The American Chemical Society, 126 (44) 14320-14321 doi:10.1021/ja0460561
Plain TextImprota, Roberto, Barone, Vincenzo (2004) Absorption and Fluorescence Spectra of Uracil in the Gas Phase and in Aqueous Solution:  A TD-DFT Quantum Mechanical Study. Journal Of The American Chemical Society, 126 (44) 14320-14321 doi:10.1021/ja0460561
In(2004, November) Journal Of The American Chemical Society Vol. 126 (44) American Chemical Society (ACS)

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Improta, Roberto, Benzi, Caterina, Barone, Vincenzo (2001) Understanding the Role of Stereoelectronic Effects in Determining Collagen Stability. 1. A Quantum Mechanical Study of Proline, Hydroxyproline, and Fluoroproline Dipeptide Analogues in Aqueous Solution. Journal Of The American Chemical Society, 123 (50) 12568-12577 doi:10.1021/ja010599i
Santoro, Fabrizio, Barone, Vincenzo, Lami, Alessandro, Improta, Roberto (2010) The excited electronic states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study. Physical Chemistry Chemical Physics, 12 (19). 4934pp. doi:10.1039/b925108a
Improta, Roberto, Barone, Vincenzo (2009) PCM/TD-DFT study of the two lowest excited states of uracil derivatives in solution: The effect of the functional and of the cavity model. Journal of Molecular Structure: THEOCHEM, 914. 87-93 doi:10.1016/j.theochem.2009.02.021
Langella, Emma, Improta, Roberto, Barone, Vincenzo (2002) Conformational and Spectroscopic Analysis of the Tyrosyl Radical Dipeptide Analogue in the Gas Phase and in Aqueous Solution by a Density Functional/Continuum Solvent Model. Journal Of The American Chemical Society, 124 (38) 11531-11540 doi:10.1021/ja020465k
Gustavsson, Thomas, Bányász, Ákos, Lazzarotto, Elodie, Markovitsi, Dimitra, Scalmani, Giovanni, Frisch, Michael J., Barone, Vincenzo, Improta, Roberto (2006) Singlet Excited-State Behavior of Uracil and Thymine in Aqueous Solution:  A Combined Experimental and Computational Study of 11 Uracil Derivatives. Journal Of The American Chemical Society, 128 (2) 607-619 doi:10.1021/ja056181s
Santoro, Fabrizio, Lami, Alessandro, Improta, Roberto, Barone, Vincenzo (2007) Effective method to compute vibrationally resolved optical spectra of large molecules at finite temperature in the gas phase and in solution. The Journal of Chemical Physics, 126 (18). 184102pp. doi:10.1063/1.2721539
Improta, Roberto, Ferrante, Camilla, Bozio, Renato, Barone, Vincenzo (2009) The polarizability in solution of tetra-phenyl-porphyrin derivatives in their excited electronic states: a PCM/TD-DFT study. Physical Chemistry Chemical Physics, 11 (22). 4664pp. doi:10.1039/b902521a
Benzi, Caterina, Improta, Roberto, Scalmani, Giovanni, Barone, Vincenzo (2002) Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution. Journal of Computational Chemistry, 23 (3). 341-350 doi:10.1002/jcc.10015
Santoro, F., Barone, V., Improta, R. (2009) Excited States Decay of the A−T DNA: A PCM/TD-DFT Study in Aqueous Solution of the (9-Methyl-adenine)2·(1-methyl-thymine)2Stacked Tetramer. Journal Of The American Chemical Society, 131 (42) 15232-15245 doi:10.1021/ja904777h
Improta, Roberto, Barone, Vincenzo, Lami, Alessandro, Santoro, Fabrizio (2009) Quantum Dynamics of the Ultrafast ππ*/nπ* Population Transfer in Uracil and 5-Fluoro-Uracil in Water and Acetonitrile. The Journal of Physical Chemistry B, 113 (43). 14491-14503 doi:10.1021/jp906524p
Pedone, Alfonso, Barone, Vincenzo (2010) Unraveling solvent effects on the electronic absorption spectra of TRITC fluorophore in solution: a theoretical TD-DFT/PCM study. Physical Chemistry Chemical Physics, 12 (11). 2722pp. doi:10.1039/b923419e
 
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