home people research publications theory interfaces organic inorganic teaching job-openings life in Lecce projects facilities collaborations                08.02.2012 14:21:35  Theory and Methods 0   T. A. Niehaus and F. Della Sala   “Range separated functionals in the density functional based tight binding method: Formalism ”   phys. stat. sol. in press 2012 0   E. Fabiano , L. A. Constantin and F. Della Sala   “Testing the broad applicability of the PBEint GGA functional and its one-parameter and its hybrid form”   Int. J. Quantum Chem. in press 2012 0   L. A. Constantin,  E. Fabiano  and F. Della Sala   “Improving atomization energies of molecules and solids with a spin-dependent gradient correction from one-electron density analysis ”   Phys. Rev. B 84 , 133103 2011 all publications>> Modeling of Organic-Metal interfaces 0   A.Terentjevs,  E. Fabiano  and F. Della Sala   “Theoretical investigation of molecular excited states in polar organic monolayers via an efficient embedding approach”   Theoretical Chemistry Accounts in press 2012 0   I. E. Palama`, I. Viola,  E. Fabiano , F. Di Maria, C. Bettini,  G. Gigli  and G. Barbarella   “Live-cell-permeant thiophene fluorophores and cell-mediated formation of fluorescent fibrils”   J. Am. Chem. Soc. 133, 17777 2011 0   F. Della Sala , S. Blumstengel and F. Henneberger   “Electrostatic-field-driven alignment of organic oligomers on ZnO surfaces ”   Phys. Rev. Lett. 106, 186406 2011 all publications>> Applications to Organic Materials 0   V. Arima, M. Iurlo, L. Zoli, S. Kudera,  M. Piacenza ,  F. Della Sala , F. Matino, G. Maruccio, R. Rinaldi, M. Marcaccio, F. Paolucci, P.G. Cozzi and A. P. Bramanti   “Toward Quantum-dot Cellular Automata Units: Thiolated-Carbazole Linked Bisferrocenes”   Nanoscale 4, 813-823 2012 0   A. Scrascia, M. Pastore, L. Yin, R. A. Picca, M. Manca,  Y. Guo, F. De Angelis,  F. Della Sala ,  G. Gigli ,  R. Cingolani  and G. Ciccarella   “Organic Dyes Containing A Triple Bond Spacer for Dye Sensitized Solar Cells: A Combined Experimental and Theoretical Investigation”   Curr. Org. Chem. 15, 3535-3543 2011 0   Z. Lan, Y. Lu,  E. Fabiano  and W. Thiel   “QM/MM Nonadiabatic Decay Dynamics of 9H-Adenine in Aqueous Solution”   Chem. Phys. Chem. 12, 1989 2011 all publications>> Applications to Inorganic Materials 0   G.Giorgi, M. Palummo,  L. Chiodo  and K. Yamashita   “Excitons at the (001) surface of anatase: Spatial behavior and optical signatures”   Phys. Rev. B 84, 073404 (BR) 2011 0   L. Chiodo , M. Salazar, A. H. Romero,  S. Laricchia ,  F. Della Sala  and Angel Rubio   “Structure, electronic and optical properties of TiO2 atomic clusters: an abinitio study”   J. Chem. Phys. 135, 244704 2011 0   G. Morello, A. Fiore, R. Mastria, A. Falqui, A. Genovese, A. Creti`,  F. Della Sala , M. Lomascolo, I. R. Franchini,  L. Manna ,  R. Cingolani  and M. De Giorgi   “Temperature and Size Dependence of the Optical Properties of Tetrapod-Shaped Colloidal Nanocrystals Exhibiting Type-II Transitions”   J. Phys. Chem. C 115 , 18094 2011 all publications>>