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The Journal of Physical Chemistry. B|June 28, 2006
Dissociative electron transfer in donor-peptide-acceptor systems: results for kinetic parameters from a density functional/polarizable continuum modelVincenzo Barone, Marshall D Newton, Roberto ImprotaJournal of the American Chemical Society|November 4, 2004
Absorption and fluorescence spectra of uracil in the gas phase and in aqueous solution: a TD-DFT quantum mechanical studyRoberto Improta, Vincenzo BaroneJournal of Computational Chemistry|June 9, 2004
Assessing the reliability of density functional methods in the conformational study of polypeptides: the treatment of intraresidue nonbonding interactionsRoberto Improta, Vincenzo BaroneTopics in Current Chemistry|March 21, 2014
Excited states behavior of nucleobases in solution: insights from computational studiesRoberto Improta, Vincenzo BaroneAccounts of Chemical Research|March 1, 2008
Quantum mechanical computations and spectroscopy: from small rigid molecules in the gas phase to large flexible molecules in solutionVincenzo Barone, Roberto Improta, Nadia RegaBiophysical Journal|September 21, 2004
Checking the pH-induced conformational transition of prion protein by molecular dynamics simulations: effect of protonation of histidine residuesEmma Langella, Roberto Improta, Vincenzo BaroneChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 14, 2008
Absorption spectrum of A-T DNA unraveled by quantum mechanical calculations in solution on the (dA)2 x (dT)2 tetramerFabrizio Santoro, Vincenzo Barone, Roberto ImprotaThe Journal of Physical Chemistry. B|December 7, 2007
Accurate steady-state and zero-time fluorescence spectra of large molecules in solution by a first-principle computational methodRoberto Improta, Vincenzo Barone, Fabrizio SantoroJournal of the American Chemical Society|September 19, 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 modelEmma Langella, Roberto Improta, Vincenzo BaroneJournal of Computational Chemistry|October 30, 2007
Can TD-DFT calculations accurately describe the excited states behavior of stacked nucleobases? The cytosine dimer as a test caseFabrizio Santoro, Vincenzo Barone, Roberto ImprotaPageof 63