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Mostrati risultati da 21 a 40 di 389
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Interaction between iron(0) and heterocumulenes: "ab initio" calculations on the model compounds Fe(CO)2(PH3)2(.eta.2-OCX) and Fe(CO)2(PH3)2(.eta.2-SCX), with X = O, S, NH, CH2 1987 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
Ab initio calculations on the interaction between iron (0) and carbon dioxide, carbonyl sulphide and carbon disulphide 1987 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
Inductive effects in the electron momentum distribution for the outermost orbital of alkyl-amines 1987 R., Fantoni; R., Tiribelli; A., Giardini Guidoni; Cambi, Roberto; Rosi, Marzio
Study of the interaction between iron(0) and carbon dioxide, carbonyl sulphide and carbon disulphide: “ab initio” calculations on the model compounds Fe(CO)2(PH3)2(η2-CO2), Fe(CO)2(PH3)2(η2-COS), Fe(CO)2(PH3)2(η2-CS2), and Fe(PH3)4(η2-CO2) 1987 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
Interaction between iron(0) and formaldehyde, thioformaldehyde, and acetone: ab initio calculations on the model compounds Fe(CO)2(PH3)2(.eta.2-CH2O), Fe(CO)2(PH3)2(.eta.2-CH2S), Fe(PH3)4(.eta.2-CH2O), and Fe(PH3)4(.eta.2-CMe2O) 1988 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
Study of the interaction between iron(0) and dinitrogen: “ab initio” calculations on the model compound Fe(PH3)4(N2) 1988 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
Study of relative stabilities of the intermediates in catalytic carbon monoxide hydrogenation reactions: ab initio calculations on the model compounds [Fe(CO)2(PH3)2H2], [Fe(CO)2(PH3)2(CHO)H], [Fe(CO)2(PH3)2(CH2O)], and [Fe(CO)(PH3)2(CHO)2] 1988 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
A theoretical investigation on the activation of dinitrogen 1988 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
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
Inductive effects in the electron momentum distribution for the outermost orbital of ethylamines 1988 A., Giardini Guidoni; R., Fantoni; R., Tiribelli; Cambi, Roberto; Rosi, Marzio
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
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
On the bonding in Be22+ 1989 Charles W., Bauschlicher; Rosi, Marzio
The binding energies of one and two water molecules to the first transition-row metal positive ions 1989 Rosi, Marzio; Charles W., Bauschlicher
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
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
Mostrati risultati da 21 a 40 di 389
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