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Mostrati risultati da 1 a 20 di 73
Titolo Data di pubblicazione Autore(i) File
Low-energy electron scattering from the water molecule: Angular distributions and rotational excitation 1998 Gianturco, F. A.; Meloni, S.; Paioletti, P.; Lucchese, R. R.; Sanna, N.
COMPARISON OF MOLECULAR DYNAMICS AND X-RAY POWDER DIFFRACTION DATA IN SYSTEMS INVOLVING WEAKLY BOUND GUEST MOLECULES: THE CASO4 X 0.5H20 EXAMPLE 2000 Meloni, Simone; Ballirano, Paolo; Caminiti, Ruggero
AB-INITIO MOLECULAR DYNAMICS INVESTIGATION OF STRUCTURAL PROPERTIES AND WATER DYNAMICS OF CALCIUM SULFATE SUB-HYDRATES. 2000 Meloni, Simone; Ballirano, Paolo; Caminiti, Ruggero
An Energy Dispersive X-ray Diffractometer 2000 Caminiti, Ruggero; Bencivenni, Luigi; A., Isopo; Meloni, Simone; A., Pieretti; Sadun, Claudia; V., ROSSI ALBERTINI
SO2Cl2, SOCl2: Energy dispersive X-ray diffraction, ab initio and molecular dynamics calculation 2001 Meloni, Simone; A., Pieretti; Bencivenni, Luigi; V., Rossi Albertini; Sadun, Claudia; Caminiti, Ruggero
A novel implicit Newton-Raphson geometry optimization method for density functional theory calculations 2001 Filippone, Francesco; Meloni, Simone; Parrinello, Michele
The monoclinic I2 structure of bassanite, calcium sulphate hemihydrate (CaSO4 • 0.5H2O) 2001 Ballirano, Paolo; Maras, Adriana; Meloni, Simone; Caminiti, Ruggero
Processi e strutture di sistemi di fase solida studiati con metodi di dinamica molecolare e diffrazione di raggi X 2001 Meloni, Simone
Energy-dispersive X-ray diffraction on thin films and its application to the superconducting samples. 2003 V., Rossi Albertini; B., Paci; Meloni, Simone; Caminiti, Ruggero; Bencivenni, Luigi
Chemistry between magnesium and multiple molecules in tris(8-hydroxyquinoline) aluminum films 2003 Meloni, Simone; Palma, Amedeo; Schwartz, Jeffrey; Kahn, Antoine; Car, Roberto
Boron ripening in amorphous silicon by large scale molecular dynamics simulations 2004 Mattoni, A.; Colombo, L.; Meloni, S.; Federico, A.; Rosati, M.
Computational Materials Science application programming interface (CMSapi): A tool for developing applications for atomistic simulations 2005 Meloni, Simone; Rosati, Mario; Federico, Alessandro; Ferraro, Luca; Mattoni, Alessandro; Colombo, Luciano
Molecular and solid-state (8-hydroxy-quinoline)aluminum interaction with magnesium: A first-principles study 2005 Meloni, S.; Palma, A.; Kahn, ASHLEY NATHAN; Schwartz, J.; Car, Roberto
Ab initio simulation of carbon clustering on an Ni(111) surface: A model of the poisoning of nickel-based catalysts 2006 Kalibaeva, G; Vuilleumier, R; Meloni, S; Alavi, A; Ciccotti, G.; Rosei, R
Efficient particle labeling in atomistic simulations 2007 Meloni, Simone; Rosati, Mario; Colombo, Luciano
Dissociative versus molecular adsorption of phenol on Si(100)2x1: A first-principles calculation 2007 Carbone, M; Meloni, Simone; Caminiti, Ruggero
Quasi-one-dimensional K-O Chain in PTCDA thin films: Evidence from first-principles calculations 2007 Zazza, Costantino; Meloni, Simone; Palma, Amedeo; Knupfer, Martin; Fuentes, Gonzalo G.; Car, Roberto
Structural and electronic properties of metal-doped organic semiconductors 2008 Zazza, Costantino; Meloni, Simone; Palma, Amedeo
Interface structure and defects of silicon nanocrystals embedded into a-SiO2 2008 Ippolito, Mariella; Meloni, Simone; Colombo, Luciano
Calculations of free energy barriers for local mechanisms of hydrogen diffusion in alanates 2008 Monteferrante, Michele; Bonella, Sara; Meloni, Simone; E., VANDEN EIJNDEN; Ciccotti, Giovanni
Mostrati risultati da 1 a 20 di 73
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