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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

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Reference TypeJournal (article/letter/editorial)
TitleThe excited electronic states of adenine-guanine stacked dimers in aqueous solution: a PCM/TD-DFT study
JournalPhysical Chemistry Chemical Physics
AuthorsSantoro, FabrizioAuthor
Barone, VincenzoAuthor
Lami, AlessandroAuthor
Improta, RobertoAuthor
Year2010Volume12
Issue19
PublisherRoyal Society of Chemistry (RSC)
DOIdoi:10.1039/b925108aSearch in ResearchGate
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Mindat Ref. ID4012937Long-form Identifiermindat:1:5:4012937:8
GUID0
Full ReferenceSantoro, 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
Plain TextSantoro, 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
In(2010) Physical Chemistry Chemical Physics Vol. 12 (19) Royal Society of Chemistry (RSC)

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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
Improta, Roberto (2008) The excited states of π-stacked 9-methyladenine oligomers: a TD-DFT study in aqueous solution. Physical Chemistry Chemical Physics, 10 (19). 2656pp. doi:10.1039/b718562f
Improta, Roberto, Santoro, Fabrizio, Barone, Vincenzo, Lami, Alessandro (2009) Vibronic Model for the Quantum Dynamical Study of the Competition between Bright and Charge-Transfer Excited States in Single-Strand Polynucleotides: The Adenine Dimer Case†. The Journal of Physical Chemistry A, 113 (52). 15346-15354 doi:10.1021/jp906278t
Santoro, Fabrizio, Barone, Vincenzo, Improta, Roberto (2008) Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test case. Journal of Computational Chemistry, 29 (6). 957-964 doi:10.1002/jcc.20853
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
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
Santoro, Fabrizio, Improta, Roberto, Lami, Alessandro, Bloino, Julien, Barone, Vincenzo (2007) Effective method to compute Franck-Condon integrals for optical spectra of large molecules in solution. The Journal of Chemical Physics, 126 (8). 84509pp. doi:10.1063/1.2437197
Ferrer, Francisco José Avila, Improta, Roberto, Santoro, Fabrizio, Barone, Vincenzo (2011) Computing the inhomogeneous broadening of electronic transitions in solution: a first-principle quantum mechanical approach. Physical Chemistry Chemical Physics, 13 (38). 17007pp. doi:10.1039/c1cp22115a
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
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
Santoro, Fabrizio, Improta, Roberto, Fahleson, Tobias, Kauczor, Joanna, Norman, Patrick, Coriani, Sonia (2014) Relative Stability of the La and Lb Excited States in Adenine and Guanine: Direct Evidence from TD-DFT Calculations of MCD Spectra. The Journal of Physical Chemistry Letters, 5 (11). 1806-1811 doi:10.1021/jz500633t
 
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