Francesco Tarantelli

Papers authored by Francesco Tarantelli

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1989 F. Tarantelli

, L. S. Cederbaum, P. Campos

Symmetry breaking and symmetry restoring in ions of loosely bound systems

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W. von Niessen, L. S. Cederbaum, F. Tarantelli

Valence ionization and the electron affinities of the open and cyclic forms of Se3 and Te3

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1988 M. Rosi, A. Sgamellotti, F. Tarantelli

, C. Floriani

Study of the interaction between iron(0) and dinitrogen: “ab initio” calculations on the model compound Fe(PH3)4(N2)

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A. B. Trofimov, T. E. Moskovskaya, E. V. Gromov, J. Schirmer, A. Barth, H. Köppel, F. Tarantelli

Theoretical study of K-shell excitations in formaldehyde

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M. Rosi, A. Sgamellotti, F. Tarantelli

, 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)

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F. Tarantelli

, L. S. Cederbaum

On the choice of orbital bases for configuration interaction

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Marzio Rosi, Antonio Sgamellotti, Francesco Tarantelli

, Carlo Floriani, Martyn F. Guest

Iron–formaldehyde interaction: ‘ab initio’ calculations on the model compounds [Fe(CO)4–n(PH3)n(η2-CH2O)](n= 0, 2, or 4)

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M. Rosi, A. Sgamellotti, F. Tarantelli

, 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]

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1987 M. Rosi, A. Sgamellotti, F. Tarantelli

, C. Floriani

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

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R. Sawatzki, L. S. Cederbaum, F. Tarantelli

Non-Hartree-Fock mean fields for molecules: critical tests

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M. Rosi, A. Sgamellotti, F. Tarantelli

, C. Floriani

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)

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L. S. Cederbaum, F. Tarantelli

, A. Sgamellotti, J. Schirmer

Double vacancies in the core of benzene

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F. Tarantelli

, A. Sgamellotti, L. S. Cederbaum, J. Schirmer

Theoretical investigation of many dicationic states and the Auger spectrum of benzene

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1986 M. Rosi, A. Sgamellotti, F. Tarantelli

, I. Bertini, C. Luchinat

Ab initio calculations of the copper(2+)-O2- interaction as a model for the mechanism of copper/zinc superoxide dismutase

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L. S. Cederbaum, F. Tarantelli

, A. Sgamellotti, J. Schirmer

On double vacancies in the core

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M. Rosi, A. Sgamellotti, F. Tarantelli

, V. A. Andreev, M. M. Gofman, V. I. Nefedov

Theoretical investigation of the energy dependence of photoionization cross-sections and angular distributions of photoemission of CH4 and CF4

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1985 F. Tarantelli

, J. Schirmer, A. Sgamellotti, L. S. Cederbaum

On the Auger spectrum of silane

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F. Tarantelli

, A. Tarantelli, A. Sgamellotti, J. Schirmer, L. S. Cederbaum

On the doubly ionized states of ammonia

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M. Rosi, A. Sgamellotti, F. Tarantelli

, I. Bertini, C. Luchinat

A theoretical investigation of the copper-super-oxide system. A model for the mechanism of copper-zinc superoxide dismutase

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F. Tarantelli

, A. Tarantelli, A. Sgamellotti, J. Schirmer, L. S. Cederbaum

A Green’s function and configuration interaction investigation on the doubly ionized states of H2O

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Papers authored by Francesco Tarantelli