Sfoglia per Autore
A theoretical investigation on the electronic structure of Cp6Ti6O8-nCln clusters ( n = 0, 2, 4, 6, 8 )
1988 Ciullo, Giovanni Nicola; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
Kinetic paths from the hyperspherical perspective: ab initio potential energy surface for the O (3P) + H2 reaction
1988 Aquilanti, Vincenzo; Cavalli, Simonetta; Grossi, Gaia; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco
Kinetic paths from the hyperspherical perspective: ab initio potential energy surface for the O (3P) + H2 reaction
1988 Aquilanti, Vincenzo; Cavalli, Simonetta; Grossi, Gaia; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco
An ab initio study on the coordination of formaldehyde, carbon dioxide, dinitrogen, and related molecules to iron (0) and nickel (0) fragments
1988 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
F. Tarantelli, L.S. CederbaumOn the choice of orbital bases for configuration interaction
1988 Tarantelli, Francesco; L. S., Cederbaum
Iron?formaldehyde interaction: ab initio calculations on the model compounds [Fe(CO)4?n (PH3) n (?2-CH2O)](n= 0, 2, or 4)
1988 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; Carlo, Floriani; Martyn F., Guest
Theoretical study of fluoromethane photoionization cross sections and angular distributions
1989 G., Padeletti; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; M. M., Gofman; V. A., Andreev; V. I., Nefedov
A theoretical study on the co-ordination of dinitrogen and related molecules to nickel(0): ab initio calculations on the model compounds [Ni(PH3)2(N2)], [Ni(PH3)2(N2CH2)], and [Ni(PH3)2(N2H2)]
1989 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; Carlo, Floriani; Lorenz S., Cederbaum
Diisocyanogen or isocyanogen ?
1989 L. S., Cederbaum; Tarantelli, Francesco; H. G., Weikert; M., Scheller; H., K¨oppel
Symmetry breaking and symmetry restoring in ions of loosely bound systems
1989 Tarantelli, Francesco; L. S., Cederbaum; P., Campos
Doubly ionized states of ethylene: Auger spectrum, potential energy surfaces and nuclear dynamics
1989 E., Ohrendorf; H., K¨oppel; L. S., Cederbaum; Tarantelli, Francesco; Sgamellotti, Antonio
Kinetic paths from the hypersperical perspective: ab initio potential energy surface for the O(3P)+H2 reaction
1989 Aquilanti, Vincenzo; Cavalli, Simonetta; Grossi, Gaia; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco
An ab initio study on the coordination of formaldehyde, carbon dioxide, dinitrogen and related molecules to iron(0) and nickel(0) fragments
1989 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
On the bonding of transition metals with small molecules
1989 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani; C. W., Bauschlicher
Reactive dynamics from the hyperspherical perspective: ab initio potential energy surface and kinetic paths for the O (3P) + H2 reaction
1989 Aquilanti, Vincenzo; Cavalli, Simonetta; Grossi, Gaia; V., Pellizzari; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco
Reactive dynamics from the hyperspherical perspective: ab initio potential energy surface and kinetic paths for the O (3P) + H2 reaction
1989 Aquilanti, Vincenzo; Cavalli, Simonetta; Grossi, Gaia; V., Pellizzari; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco
Xalpha SW studies on C ls level photoionization cross sections and angular distributions for fluoromethanes
1989 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; M. M., Gofman; V. A., Andreev; V. I., Nefedov
Potential energy surfaces in hyperspherical coordinates: Ab initio kinetic paths for the O(3P)+H2 reaction
1989 Aquilanti, Vincenzo; Cavalli, Simonetta; Grossi, Gaia; V., Pellizzari; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco
Non-analiticity of self-consistent field approaches: failure of predicting symmetry
1990 L. S., Cederbaum; Tarantelli, Francesco; P., Winkler
Bonding between C2 and N2: a localization induced bond
1990 M. K., Scheller; L. S., Cederbaum; Tarantelli, Francesco
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