2002

Scientific Articles

unige:3696

First Principles Study of the Structure and Chemistry of Mg-Based Hydrotalcite-Like Anionic Clays

Trave, Andrea; Selloni, Annabella; Goursot, Annick; Tichit, Didier; Weber, Jacques

1998

Scientific Articles

unige:2754	A dynamical density functional study of CO migration in the Reppe carbonylation	De Angelis, Filippo; Re, N.; Sgamellotti, Antonio; Selloni, Annabella; ... Floriani, Carlo
unige:2955	CdS Microclusters in Sodalite Frameworks of Different Composition: A Density Functional Study	Trave, Andrea; Buda, F.; Selloni, Annabella;

1997

Scientific Articles

unige:2794	Cation siting and dynamical properties of zeolite offretite from first principles molecular dynamics	Campana, Luca; Selloni, Annabella; Weber, Jacques; Goursot, Annick;
unige:2781	First-principles molecular dynamics investigations of the stability of zeolite offretite under various Si4+/(Al3+,H+) substitutions	Campana, Luca; Selloni, Annabella; Weber, Jacques; Goursot, Annick;
unige:2780	H2 adsorption/desorption at Si(111)-(7 x 7) : a density functional study	Vittadini, Andrea; Selloni, Annabella;
unige:2787	Mechanism for SiCl2 formation and desorption and the growth of pits in the etching of Si(100) with chlorine	De Wijs, Gilles A.; De Vita, Alessandro; Selloni, Annabella;
unige:2776	Transition from surface vibrations to liquidlike dynamics at an incompletely melted semiconductor surface	Takeuchi, N.; Selloni, Annabella; Tosatti, Erio;

1996

Scientific Articles

unige:2827	Chlorine on Si(001)-(2 x 1) : bridge versus terminal bonding	De Wijs, Gilles A.; Selloni, Annabella;
unige:2815	First-principles molecular dynamics simulation of liquid Mg3Bi2	De Wijs, Gilles A.; Pastore, G.; Selloni, Annabella; Van der Lugt, W.;
unige:2811	Non-empirical dynamical DFT calculation of the Berry pseudorotation of PF5	Daul, Claude; Frioud, Max; Schafer, O.; Selloni, Annabella;

1995

Scientific Articles

unige:2989	Reconstructions and phase transitions at semiconductor surfaces: Ge(111)	Selloni, Annabella; Takeuchi, Noboru; Tosatti, Erio;
unige:2845	Structure and Stability of Zeolite Offretite under Si4+/(Al3+, M+) Substitution (M = Na, K): A First Principles Molecular Dynamics Study	Campana, Luca; Selloni, Annabella; Weber, Jacques; Goursot, Annick;

1994

Scientific Articles

unige:3350	First principles molecular dynamics calculation of the structure and acidity of a bulk zeolite	Campana, Luca; Selloni, Annabella; Weber, Jacques; Pasquarello, Alfredo; ... Goursot, Annick
unige:79092	Low- and high-temperature phases of a Pb monolayer on Ge(111) from ab initio molecular dynamics	Ancilotto, Francesco; Selloni Car, Annabella; Car, Roberto;

1993

Scientific Articles

unige:2898	Ab initio molecular dynamics study of liquid Li12Si7	De Wijs, Gilles A.; Pastore, G.; Selloni, Annabella; Van der Lugt, W.;
unige:2895	First principles calculations of the cleaved and annealed Ge(111) surfaces	Takeuchi, Noboru; Selloni, Annabella; Tosatti, Erio;
unige:2870	First-principles molecular-dynamics simulation of liquid Li12Si7	De Wijs, Gilles A.; Pastore, G.; Selloni, Annabella; Van der Lugt, W.;
unige:2897	ß phase of Pb on Ge(111) : the competing roles of electronic bonding and thermal fluctuations	Ancilotto, Francesco; Selloni, Annabella; Car, Roberto;

1992

Scientific Articles

unige:2914	Do we know the true structure of Ge(111)c(2x8) ?	Takeuchi, Noboru; Selloni, Annabella; Tosatti, Erio;
unige:2912	Hydrogen-induced dereconstruction of Si(111)2x1 from first-principles molecular dynamics	Ancilotto, Francesco; Selloni, Annabella;
unige:2919	Structure, electronic properties and defects of amorphous gallium arsenide	Fois, E.; Selloni, Annabella; Pastore, G.; Zhang, Q.M.; Car, Roberto
unige:2916	Theoretical study of SiH3-defect stability and formation on the H-saturated Si(100)1x1 surface	Vittadini, Andrea; Selloni, Annabella; Car, Roberto; Casarin, Mauro;

Proceedings Chapters

unige:104443

First-principles molecular dynamics : a tool for microscopic modelling of materials

Galli Gygi, Giulia; Selloni, Annabella; Car, Roberto;