Classical simulation of deposition of thiophene oligomers on TiO2-anatase: Relevance of long-range electrostatic interactions M. A. Santos and M. J. Caldas Synthetic Metals159, 2302 (2009) Fulltext:[link]
Hyperfine interaction studies with 181Ta and 111Cd probes in the compound Ti2Ag A. Kuliska, P. Wodniecki, B. Wodniecka, H. M. Petrilli, L. A. Terrazos, M. Uhrmacher and K. P. Lieb J. Phys.: Condens. Matter21, 095404 (2009) Fulltext:[link]
Effects of torsional disorder on poly-para-phenylene L. M. M. Jorge and M. J. Caldas Synthetic Metals159, 2222 (2009) Fulltext:[link]
Hyperfine and magnetic properties of Fe-Cu clusters and Fe precipitates embedded in a Cu matrix A. B. Klautau, L. M. Socolovsky, R. N. Nogueira and H. M. Petrilli J. Phys.: Condens. Matter21, 506001 (2009) Fulltext:[link]
Ab initio calculation of the BCC Fe-Al-Mo (Iron-Aluminium-Molybdenum) phase diagram: Implications for the nature of the tau-2 phase N. Sodré, G. Gonzales-Ormeño, H. M. Petrilli and C. G. Schön Calphad33, 576 (2009). Fulltext:[]
Oxindole-Schiff base copper(II) complexes interactions with human serum albumin: spectroscopic, oxidative damage, and computational studies V. C. Silveira, G. F. Caramori, M. P. Abbott, M. Brown Gonçalves, H.M. Petrilli and A. M. C. Ferreira J Inorg. Biochem.103, 1331(2009). Fulltext:[link]
2008
Ab initio study of the EFG at the N sites in imidazole M. Brown Gonçalves , R. Di Felice, O. K. Poleshchuk and H. M. Petrilli Hyperfine Interact181, 53 (2008) Fulltext:[link]
Competitive Chemisorption of Bifunctional Carboxylic Acids on H:Si(100): A First-Principles Study C. S. Cucinotta, A. Ruini, E. Molinari, C. A. Pignedoli, A. Catellani and M. J. Caldas J. Phys. Chem. C112, 10167 (2008) Fulltext:[link]
Atomistic molecular dynamics study of interface formation: the case of aluminum on poly(p-phenylene vinylene) R. Giro and M. J. Caldas Phys. Rev. B, 155312 (2008) Fulltext:[link]
Oxygen-mediated electron transport through hybrid silicon-organic interfaces B. Bonferroni, A. Ferretti, A. Calzolari, A. Ruini, M. J. Caldas, and E. Molinari Nanotechnology19, 285201 (2008) Fulltext:[link]
2007
TDPAC study of Cd-doped SnO E. L. Muñoz, A. W. Carbonari , L. A. Errico , A. G. Bibiloni , H. M. Petrilli and M. Rentería Hyperfine Interact178, 37 (2007) Fulltext:[link]
Calcium deposition on poly(para-phenylene vinylene): Molecular dynamics simulations R. Giro, and M. J. Caldas Phys. Rev. B76, 161303(R) (2007) Fulltext:[link]
Cd in SnO: Probing structural effects on the electronic structure of doped oxide semiconductors through the electric field gradient at the Cd nucleus L. Errico, M. Renteria and H. M. Petrilli Phys. Rev. B75, 155209 (2007) Fulltext:[link]
Trimming Si surfaces for molecular electronics M. J. Caldas, A. Calzolari, and C. S. Cucinotta J. Appl. Phys.101, 081719 (2007) Fulltext:[link]
Structural characterization of the Zr4Al3 and Hf4Al3 compounds by means of hyperfine interaction studies P. Wodniecki, A. Kulińska, B. Wodniecka, S. Cottenier, H. M. Petrilli, M. Uhrmacher and K. P. Lieb Europhysics Letters77, 43001 (2007) Fulltext:[link]
Augmented wave ab initio EFG calculations some methodological warnings L. A. Errico, M. Renteria, and H. M. Petrilli Physica B389, 37 (2007) Fulltext:[link]
