Sfoglia per Autore
Oligomerization of early transition metal [M{(OH)3}2(mu-C2)] acetylides toward the formation of [(OH)3MC]n (n=4,6) metalla carbides: a theoretical study by density functional theory
2000 Belanzoni, Paola; Re, N.; Sgamellotti, Antonio; Floriani, C.
A density functional investigation on d0-Zr(IV) organometallic fragments
2001 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
An evaluation of the density functional approach in the zero order regular approximation for relativistic effects: magnetic interactions in small metal compounds
2001 Belanzoni, Paola; van Lenthe, E.; Baerends, E. J.
Metal-metal and carbon-carbon bonds as potential components of molecular batteries
2001 Floriani, C.; Solari, E.; Franceschi, F.; Scopelliti, R.; Belanzoni, Paola; Rosi, Marzio
A theoretical analysis of the fundamental stepwise six-electron oxidation of porphyrinogen to porphyrins: the energetics of porphodimethene and artificial porphyrin intermediates
2001 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio; Lucia, Bonomo; Carlo, Floriani
Stepwise hapticity changes in sequential one-electron redox reactions of indenyl-molybdenum complexes: combined electrochemical, ESR, X-ray and theoretical studies
2001 Stoll, M. E.; Belanzoni, Paola; Calhorda, M. J.; Drew, M. G.; Felix, V.; Geiger, W. E.; Gamelas, C. A.; Goncalves, I. S.; Romao, C. C.; Veiros, L. F.
On the design of a planar oxo matrix for binding transition metals: a density functional approach
2002 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
Relativistic calculation of hyperfine and electron spin resonance parameters in diatomic molecules
2002 Quiney, H. M.; Belanzoni, Paola
Carbon chain bridged metals: a theoretical approach. Odd chains
2002 Belanzoni, Paola; Re, N.; Sgamellotti, Antonio
Relativistic density functional theory using Gaussian basis sets
2002 Quiney, H. M.; Belanzoni, Paola
Evaluation of the Coulomb energy in relativistic self-consistent field theory
2002 Quiney, H. M.; Belanzoni, Paola; Sgamellotti, Antonio
A theoretical analysis of [M(tmtaa)] and [M(acacen)] fragments employed in the organometallic chemistry of early transition metals
2002 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
A density functional investigation on the structural and electronic properties of niobium–silsesquioxane and niobium-2,2′-thiobisphenolic frameworks as models of an oxo surface
2002 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
Density functional investigations on the C-C bond formation and cleavage in molecular batteries
2003 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
A theoretical approach to a chemical system convertible into a storage cell: carbon_carbon bonds functioning as electron donor and electron acceptor units
2003 Belanzoni, Paola; S., Fantacci; Rosi, Marzio; Sgamellotti, Antonio
Density functional investigations on the C-C bond formation and cleavage in molecular batteries
2003 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio
Theoretical approach to a chemical system convertible into a storage cell: Carbon-carbon bonds functioning as electron donor and electron acceptor units
2003 Rosi, Marzio; Belanzoni, Paola; S., Fantacci; Sgamellotti, Antonio
Atomic silicon in siloxanic matrices: a density functional approach
2004 Belanzoni, Paola; Giorgi, Giacomo; Cerofolini, G. F.; Sgamellotti, Antonio
The electric field gradient at U as a probe of environmental effects
2004 Belanzoni, Paola; Baerends, E. J.; van Lenthe, E.
Atomic-silicon cryptates in siloxanic networks
2004 Belanzoni, Paola; Giorgi, Giacomo; Cerofolini, G. F.
Legenda icone
- file ad accesso aperto
- file disponibili sulla rete interna
- file disponibili agli utenti autorizzati
- file disponibili solo agli amministratori
- file sotto embargo
- nessun file disponibile