| 1 |
Atomic Structure of Glassy GeTe4 as a Playground to Assess the Performances of Density Functional Schemes Accounting for Dispersion Forces
Silvestrelli PL, Martin E, Boero M, Bouzid A, Ori G, Massobrio C
Journal of Physical Chemistry B, 124(49), 11273, 2020 |
| 2 |
Structure and Dynamics of Ionic Liquids Confined in Amorphous Porous Chalcogenides
Ori G, Massobrio C, Pradel A, Ribes M, Coasne B
Langmuir, 31(24), 6742, 2015 |
| 3 |
Stability of Ge12C48 and Ge20C40 heterofullerenes: A first principles molecular dynamics study
Massobrio C, Djimbi DM, Matsubara M, Scipioni R, Boero M
Chemical Physics Letters, 556, 163, 2013 |
| 4 |
Network connectivity and extended Se chains in the atomic structure of glassy GeSe4
Sykina K, Furet E, Bureau B, Le Roux S, Massobrio C
Chemical Physics Letters, 547, 30, 2012 |
| 5 |
Thermal behavior of Si-doped fullerenes vs their structural stability at T=0 K: A density functional study
Scipioni R, Matsubara M, Ruiz E, Massobrio C, Boero M
Chemical Physics Letters, 510(1-3), 14, 2011 |
| 6 |
Interacting Lewis-X Carbohydrates in Condensed Phase: A First-Principles Molecular Dynamics Study
Zucca R, Boero M, Massobrio C, Molteni C, Cleri F
Journal of Physical Chemistry B, 115(43), 12599, 2011 |
| 7 |
Conformational Changes in a Flexible, Encapsulated Dicarboxylate: Evidence from Density Functional Theory Simulations
Kachmar A, Benard M, Rohmer MM, Boero M, Massobrio C
Journal of Physical Chemistry A, 113(32), 9075, 2009 |
| 8 |
Theoretical determination of multiple exchange couplings and magnetic susceptibility data in inorganic solids: The prototypical case of Cu-2(OH)(3)NO3
Ruiz E, Llunell M, Cano J, Rabu P, Drillon M, Massobrio C
Journal of Physical Chemistry B, 110(1), 115, 2006 |
| 9 |
Stable highly doped C60-mSim heterofullerenes: A first principles study of C40Si20, C36Si24, and C30Si30
Matsubara M, Massobrio C
Journal of Physical Chemistry A, 109(19), 4415, 2005 |
| 10 |
Structural and electronic properties of small CuOm clusters
Pouillon Y, Massobrio C
Applied Surface Science, 226(1-3), 306, 2004 |
