Energetics of Co adatoms on the Cu (001) surface NA Levanov, VS Stepanyuk, W Hergert, DI Bazhanov, PH Dederichs, ...
Physical Review B 61 (3), 2230, 2000
149 2000 Development of an N -body interatomic potential for hcp and bcc zirconium F Willaime, C Massobrio
Physical Review B 43 (14), 11653, 1991
146 1991 Molecular-dynamics study of amorphization by introduction of chemical disorder in crystalline C Massobrio, V Pontikis, G Martin
Physical Review B 41 (15), 10486, 1990
139 1990 Evolution of the electronic and geometric structure of size-selected Pt and Pd clusters on Ag (110) observed by photoemission HV Roy, P Fayet, F Patthey, WD Schneider, B Delley, C Massobrio
Physical Review B 49 (8), 5611, 1994
134 1994 Temperature-induced hcp-bcc phase transformation in zirconium: A lattice and molecular-dynamics study based on an N -body potential F Willaime, C Massobrio
Physical review letters 63 (20), 2244, 1989
127 1989 Layered hydroxide hybrid nanostructures: a route to multifunctionality G Rogez, C Massobrio, P Rabu, M Drillon
Chemical Society Reviews 40 (2), 1031-1058, 2011
123 2011 Amorphization induced by chemical disorder in crystalline n -body potential C Massobrio, V Pontikis, G Martin
Physical review letters 62 (10), 1142, 1989
123 1989 Structural and electronic properties of small copper clusters: a first principles study C Massobrio, A Pasquarello, R Car
Chemical physics letters 238 (4-6), 215-221, 1995
117 1995 Partial enthalpies and related quantities in mixtures from computer simulation P Sindzingre, G Ciccotti, C Massobrio, D Frenkel
Chemical physics letters 136 (1), 35-41, 1987
114 1987 First principles calculations of Si doped fullerenes: Structural and electronic localization properties in IML Billas, C Massobrio, M Boero, M Parrinello, W Branz, F Tast, ...
The Journal of chemical physics 111 (15), 6787-6796, 1999
105 1999 Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches E Ruiz, A Rodríguez-Fortea, J Tercero, T Cauchy, C Massobrio
The Journal of chemical physics 123 (7), 074102, 2005
104 2005 Transition from one-to two-dimensional growth of Cu on Pd (110) promoted by cross-exchange migration JP Bucher, E Hahn, P Fernandez, C Massobrio, K Kern
EPL (Europhysics Letters) 27 (6), 473, 1994
98 1994 Structural and electronic properties of small C Massobrio, A Pasquarello, A Dal Corso
The Journal of chemical physics 109 (16), 6626-6630, 1998
90 1998 Short- and intermediate-range structure of liquid C Massobrio, A Pasquarello, R Car
Physical Review B 64 (14), 144205, 2001
89 2001 Microscopic Structure of Liquid C Massobrio, A Pasquarello, R Car
Physical review letters 80 (11), 2342, 1998
85 1998 Electronic Structure and Magnetic Behavior in Polynuclear Transition‐Metal Compounds E Ruiz, S Alvarez, A Rodríguez‐Fortea, P Alemany, Y Pouillon, ...
Magnetism: Molecules to Materials: 5 Volumes Set, 227-279, 2004
81 2004 Angular rigidity in tetrahedral network glasses with changing composition M Bauchy, M Micoulaut, M Celino, S Le Roux, M Boero, C Massobrio
Physical Review B 84 (5), 054201, 2011
76 2011 First Principles Study of Photoelectron Spectra of C Massobrio, A Pasquarello, R Car
Physical review letters 75 (11), 2104, 1995
76 1995 Structure, topology, rings, and vibrational and electronic properties of Ge M Micoulaut, A Kachmar, M Bauchy, S Le Roux, C Massobrio, M Boero
Physical Review B 88 (5), 054203, 2013
73 2013 Calculation of partial enthalpies of an argon-krypton mixture by NPT molecular dynamics P Sindzingre, C Massobrio, G Ciccotti, D Frenkel
Chemical physics 129 (2), 213-224, 1989
71 1989 