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Iron-formaldehyde interaction: ab initio calculations on the model compounds [Fe(CO)4-n(PH3)n(eta2-CH2O)] ( n = 0, 2, or 4) 1985 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
(e,2e) spectroscopy of silicon compounds. Ionization potentials and electron momentum distributions for valence shell orbitals of SiF4 1985 V., Di Martino; R., Fantoni; A., Giardini Guidoni; R., Tiribelli; Cambi, Roberto; Rosi, Marzio; Tarantelli, Francesco
A Green’s function study and a configuration interaction investigation on the doubly ionized statesof H2O 1985 Tarantelli, Francesco; A., Tarantelli; Sgamellotti, Antonio; J., Schirmer; L. S., Cederbaum
On double vacancies in the core 1986 L. S., Cederbaum; Tarantelli, Francesco; Sgamellotti, Antonio; J., Schirmer
Ab initio calculations of the copper(2+)-O2- interaction as a model for the mechanism of copper/zinc superoxide dismutase 1986 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; I., Bertini; C., Luchinat
Theoretical investigation of the energy dependence of photoionization cross-sections and angular distributions of photoemission of CH4 and CF4 1986 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; V. A., Andreev; M. M., Gofman; V. I., Nefedov
A theoretical investigation on the interaction of formaldehyde with transition metal complexes 1986 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani; M. F., Guest
A theoretical investigation on the interaction of formaldehyde with transition metal complexes 1986 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani; M. F., Guest
Ab initio calculations on the copper (II) - superoxide ion interaction: a model for copper-zinc superoxide dismutase 1986 I., Bertini; C., Luchinat; Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco
Non–Hartree-Fock mean fields for molecules: critical tests 1987 R., Sawatzki; L. S., Cederbaum; Tarantelli, Francesco
Theoretical investigation of many dicationic states and the Auger spectrum of benzene 1987 Tarantelli, Francesco; Sgamellotti, Antonio; L. S., Cederbaum; J., Schirmer
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
Double vacancies in the core of benzeneThe Journal of Chemical Physics 86, 2168 (1987) 1987 L. S., Cederbaum; Tarantelli, Francesco; Sgamellotti, Antonio; J., Schirmer
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
Theoretical study of K-shell excitations in formaldehyde 1988 J., Schirmer; A., Barth; Tarantelli, Francesco
A theoretical investigation on the activation of dinitrogen 1988 Rosi, Marzio; Sgamellotti, Antonio; Tarantelli, Francesco; C., Floriani
Mostrati risultati da 21 a 40 di 276
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