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Calcolo della struttura elettronica di grandi sistemi molecolari, aggregati, cluster e sistemi estesi con metodi quantistici ab initio 1993 Belanzoni, Paola; Cambi, Roberto; Ciullo, Giovanni Nicola; R., Nottoli; N., Re; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco
Theoretical investigations on inorganic systems and aggregates by density functional methods 1994 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio; E. J., Baerends; C., Floriani
Indagini teoriche su sistemi e aggregati inorganici con metodi ab initio 1995 Rosi, Marzio; Belanzoni, Paola; N., Re; Sgamellotti, Antonio; C., Floriani
On the electronic structure and bonding of the polynuclear aryl derivatives of the group IB metals Cu5(C6H5)5, Ag4(C6H5)4 and Au5(C6H5)5 by density functional theory 1995 Belanzoni, Paola; Sgamellotti, Antonio; Rosi, Marzio; E. J., Baerends; C., Floriani
Theoretical investigation on inorganic system and aggregates by density functional methods 1995 Belanzoni, Paola; Re, N; Rosi, Marzio; Sgamellotti, A; Floriani, C.
The electronic structure and bonding of the polynuclear aryl derivatives of the group IB metals Cu5(C6H5)5, Ag4(C6H5)4 and Au5(C6H5)5 by density functional theory 1995 Belanzoni, Paola; Sgamellotti, Antonio; Rosi, Marzio; E. J., Baerends; C., Floriani
Theoretical investigations on the electronic structure and on the spectroscopic properties of large inorganic systems 1995 Sgamellotti, Antonio; Rosi, Marzio; Tarantelli, Francesco; N., Re; D., Minelli; Belanzoni, Paola; L. S., Cederbaum; C., Floriani; M. F., Guest
Density functional study of magnetic coupling parameters. Reconciling theory and experiment for the TiF3 complex. 1995 Belanzoni, Paola; Baerends, E. J; VAN ASSELT, S; Langewen, P. B.
Electronic Structure, Heisenberg Coupling Constants, and Metal−Metal Bond in Dimeric Iron(II) Organometallics with the Metal Centers at Variable Distances:  A Density Functional Approach 1996 Belanzoni, Paola; Nazzareno, Re; Rosi, Marzio; Sgamellotti, Antonio; Evert Jan, Baerends; Carlo, Floriani
On the electronic structure and bonding of the polynuclear aryl derivatives of the group IB metals Cu5(C6H5)5, Ag4(C6H5)4 and Au5(C6H5)5 by density functional theory 1996 Belanzoni, Paola; Rosi, Marzio; Sgamellotti, Antonio; Evert Jan, Baerends; Carlo, Floriani
Changes in the Interaction Mode of Bridging “C2” Units According to Transition Metal Parameters:  A Theoretical Approach 1996 Belanzoni, Paola; Nazzareno, Re; Rosi, Marzio; Sgamellotti, Antonio; Carlo, Floriani
Theoretical investigations on inorganic material precursors 1997 Belanzoni, Paola; S., Fantacci; N., Re; Rosi, Marzio; Sgamellotti, Antonio; C., Floriani
Theoretical study of carbon chain bridged dinuclear transition metal complexes 1997 Sgamellotti, Antonio; Belanzoni, Paola; Re, N.; Rosi, Marzio; Floriani, C.
Interaction mode of bridging "C2" units in dinuclear complexes of late transition metals in low oxidation states: a theoretical approach 1997 Belanzoni, Paola; Re, N; Sgamellotti, Antonio; Floriani, C.
Oligomerization of the PH3CuC⋮CCuPH3Acetylide toward the Formation of (PH3CuC)n(n= 4, 6, 8) Metal Carbides:  A Theoretical Study Based on Density Functional Theory 1997 Belanzoni, Paola; Simona, Fantacci; Nazzareno, Re; Rosi, Marzio; Sgamellotti, Antonio; Carlo, Floriani
Electronic communication between carbon chain bridged metals: a theoretical approach.I - Even Chains 1998 Belanzoni, Paola; Re, N; Sgamellotti, Antonio; Floriani, C.
Density functional study of magnetic coupling parameters. Reconciling theory and experiment for the TiF3 complex 1999 Belanzoni, Paola; Baerends, E. J.; Gribnau, M.
Density functional study of magnetic coupling parameters. F and H hyperfine splitting in the prototype inorganic (d1) and organic (p1) radicals TiF3 and CH3 1999 Belanzoni, Paola; Baerends, E. J.; Gribnau, M.
Theoretical investigations on the magnetic properties of inorganic compounds 2000 Belanzoni, Paola
An evaluation of the density functional approach in the Zeroth Order Regular Approximation, ZORA, for relativistic effects: magnetic interactions in small metal complexes 2000 Belanzoni, Paola; van Lenthe, E.; Baerends, E. J.
Mostrati risultati da 1 a 20 di 136
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