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 TitleAuthors / EditorsDate
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A dynamical density functional study of CO migration in the Reppe carbonylation De Angelis, Filippo; Re, N.; Sgamellotti, Antonio; Selloni, Annabella; ... Floriani, Carlo 1998
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Ab initio molecular dynamics study of liquid Li12Si7 De Wijs, Gilles A.; Pastore, G.; Selloni, Annabella; Van der Lugt, W. 1993
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Cation siting and dynamical properties of zeolite offretite from first principles molecular dynamics Campana, Luca; Selloni, Annabella; Weber, Jacques; Goursot, Annick 1997
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CdS Microclusters in Sodalite Frameworks of Different Composition: A Density Functional Study Trave, Andrea; Buda, F.; Selloni, Annabella 1998
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Chlorine on Si(001)-(2 x 1) : bridge versus terminal bonding De Wijs, Gilles A.; Selloni, Annabella 1996
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Do we know the true structure of Ge(111)c(2x8) ? Takeuchi, Noboru; Selloni, Annabella; Tosatti, Erio 1992
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First principles calculations of the cleaved and annealed Ge(111) surfaces Takeuchi, Noboru; Selloni, Annabella; Tosatti, Erio 1993
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First principles molecular dynamics calculation of the structure and acidity of a bulk zeolite Campana, Luca; Selloni, Annabella; Weber, Jacques; Pasquarello, Alfredo; ... Goursot, Annick 1994
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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 2002
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First-principles molecular dynamics : a tool for microscopic modelling of materials Galli Gygi, Giulia; Selloni, Annabella; Car, Roberto 1992
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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 1997
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First-principles molecular dynamics simulation of liquid Mg3Bi2 De Wijs, Gilles A.; Pastore, G.; Selloni, Annabella; Van der Lugt, W. 1996
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First-principles molecular-dynamics simulation of liquid Li12Si7 De Wijs, Gilles A.; Pastore, G.; Selloni, Annabella; Van der Lugt, W. 1993
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H2 adsorption/desorption at Si(111)-(7 x 7) : a density functional study Vittadini, Andrea; Selloni, Annabella 1997
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Hydrogen-induced dereconstruction of Si(111)2x1 from first-principles molecular dynamics Ancilotto, Francesco; Selloni, Annabella 1992
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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 1997
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Non-empirical dynamical DFT calculation of the Berry pseudorotation of PF5 Daul, Claude; Frioud, Max; Schafer, O.; Selloni, Annabella 1996
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Reconstructions and phase transitions at semiconductor surfaces: Ge(111) Selloni, Annabella; Takeuchi, Noboru; Tosatti, Erio 1995
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ß phase of Pb on Ge(111) : the competing roles of electronic bonding and thermal fluctuations Ancilotto, Francesco; Selloni, Annabella; Car, Roberto 1993
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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 1995
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Structure, electronic properties and defects of amorphous gallium arsenide Fois, E.; Selloni, Annabella; Pastore, G.; Zhang, Q.M.; Car, Roberto 1992
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Theoretical study of SiH3-defect stability and formation on the H-saturated Si(100)1x1 surface Vittadini, Andrea; Selloni, Annabella; Car, Roberto; Casarin, Mauro 1992
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Transition from surface vibrations to liquidlike dynamics at an incompletely melted semiconductor surface Takeuchi, N.; Selloni, Annabella; Tosatti, Erio 1997